HDJ

(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile

Created:	2018-06-27
Last modified:	2018-07-11

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2 entries where HDJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	12

2D diagram of HDJ

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Chemical Component Summary
Name	(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R})-3-[4-[2,6-bis(fluoranyl)-4-methyl-phenyl]phenyl]-4-(fluoranylmethyl)azetidine-2-carbonitrile
Formula	C₁₈ H₁₅ F₃ N₂
Molecular Weight	316.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(F)c(c2ccc(C1C(CF)NC1C#N)cc2)c(cc3C)F
SMILES	CACTVS	3.385	Cc1cc(F)c(c(F)c1)c2ccc(cc2)[CH]3[CH](CF)N[CH]3C#N
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(c(c(c1)F)c2ccc(cc2)C3C(NC3C#N)CF)F
Canonical SMILES	CACTVS	3.385	Cc1cc(F)c(c(F)c1)c2ccc(cc2)[C@@H]3[C@H](CF)N[C@H]3C#N
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F
InChI	InChI	1.03	InChI=1S/C18H15F3N2/c1-10-6-13(20)17(14(21)7-10)11-2-4-12(5-3-11)18-15(8-19)23-16(18)9-22/h2-7,15-16,18,23H,8H2,1H3/t15-,16-,18+/m0/s1
InChIKey	InChI	1.03	OZFKPHFHTNQIQS-XYJFISCASA-N

Related Resource References

Resource Name	Reference
PubChem	134686802

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