V3R

(2S)-4-(3,4-difluorophenyl)butan-2-amine

Created:	2022-08-29
Last modified:	2022-11-02

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1 entries where V3R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of V3R

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Chemical Component Summary
Name	(2S)-4-(3,4-difluorophenyl)butan-2-amine
Systematic Name (OpenEye OEToolkits)	(2~{S})-4-[3,4-bis(fluoranyl)phenyl]butan-2-amine
Formula	C₁₀ H₁₃ F₂ N
Molecular Weight	185.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(CCC(C)N)cc1F
SMILES	CACTVS	3.385	C[CH](N)CCc1ccc(F)c(F)c1
SMILES	OpenEye OEToolkits	2.0.7	CC(CCc1ccc(c(c1)F)F)N
Canonical SMILES	CACTVS	3.385	C[C@H](N)CCc1ccc(F)c(F)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CCc1ccc(c(c1)F)F)N
InChI	InChI	1.06	InChI=1S/C10H13F2N/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKey	InChI	1.06	TVJUZDQYBVCQIX-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	52420704

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