FCR

ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL

Created:	2000-04-12
Last modified:	2011-06-04

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2 entries where FCR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of FCR

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Chemical Component Summary
Name	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
Systematic Name (OpenEye OEToolkits)	4-(trifluoromethyl)phenol
Formula	C₇ H₅ F₃ O
Molecular Weight	162.109
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1ccc(O)cc1
SMILES	CACTVS	3.341	Oc1ccc(cc1)C(F)(F)F
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(F)(F)F)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKey	InChI	1.03	BAYGVMXZJBFEMB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03610
Name	4-(trifluoromethyl)phenol
Groups	experimental
Synonyms	4-trifluoromethylphenol 4-(trifluoromethyl)phenol 4-hydroxybenzotrifluoride α,α,α-trifluoro-p-cresol
Categories	Benzene Derivatives
CAS number	402-45-9

Related Resource References

Resource Name	Reference
PubChem	67874
ChEMBL	CHEMBL539165
ChEBI	CHEBI:42578

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