2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate

C15H10F3O2- — CID 152563260

IUPAC2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
SMILESO=C([O-])Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-8-10(9-14(19)20)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)/p-1
InChIKeyYPYCITDQPMYGBX-UHFFFAOYSA-M
MW279.24 g/mol
LogP2.66
Rot. Bonds3

About 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate

2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate (PubChem CID 152563260) has the molecular formula C15H10F3O2- and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
PubChem CID152563260
Molecular FormulaC15H10F3O2-
Molecular Weight279.24 g/mol
Exact Mass279.06
IUPAC Name2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
SMILESO=C([O-])Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-8-10(9-14(19)20)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)/p-1
InChIKeyYPYCITDQPMYGBX-UHFFFAOYSA-M
XLogP2.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluoroethyl)-4-phenylphenyl]acetate
CID 23618265
(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
CID 126622264
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methanol
CID 87710316
4-phenyl-3-(trifluoromethyl)benzenethiol
CID 22057738
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide
CID 89450250
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
CID 165042761
2-(9-oxofluoren-3-yl)acetate
CID 156673919
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556
2-hydroxy-3-[[4-[2-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenyl]methylamino]propanoic acid
CID 87416198

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate (CID 152563260) is 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate is O=C([O-])Cc1ccc(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate?
The InChIKey is YPYCITDQPMYGBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)13-8-10(9-14(19)20)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)/p-1.
What are the key properties of 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate?
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate has a molecular weight of 279.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 152563260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).