NAF

M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where NAF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	32
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
Systematic Name (OpenEye OEToolkits)	trimethyl-[3-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)phenyl]azanium
Formula	C₁₁ H₁₅ F₃ N O₂
Molecular Weight	250.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O
InChI	InChI	1.03	InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
InChIKey	InChI	1.03	KGVDBJQLTHWAJF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03359
Name	M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene
Groups	experimental
Synonyms	M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682