X0V

4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE

Created:	2009-12-17
Last modified:	2011-06-04

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3 entries where X0V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of X0V

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Chemical Component Summary
Name	4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
Systematic Name (OpenEye OEToolkits)	4-(trifluoromethyl)benzene-1,2-diamine
Formula	C₇ H₇ F₃ N₂
Molecular Weight	176.139
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1cc(N)c(N)cc1
SMILES	CACTVS	3.352	Nc1ccc(cc1N)C(F)(F)F
SMILES	OpenEye OEToolkits	1.6.1	c1cc(c(cc1C(F)(F)F)N)N
Canonical SMILES	CACTVS	3.352	Nc1ccc(cc1N)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(c(cc1C(F)(F)F)N)N
InChI	InChI	1.03	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKey	InChI	1.03	RQWJHUJJBYMJMN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	520822
ChEMBL	CHEMBL1236744

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.