2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

C15H10F4O2 — CID 134626810

IUPAC2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C15H10F4O2/c16-13-7-10(4-5-11(13)8-14(20)21)9-2-1-3-12(6-9)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyRAGBPPHEVYYPGV-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 134626810) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID134626810
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C15H10F4O2/c16-13-7-10(4-5-11(13)8-14(20)21)9-2-1-3-12(6-9)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyRAGBPPHEVYYPGV-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
(E)-3-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134621939
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
CID 122109904
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-(2-fluoro-4-pyridin-4-ylphenyl)acetic acid
CID 46315787
2-[1-methyl-5-[4-[3-(trifluoromethyl)phenyl]benzoyl]pyrrol-2-yl]acetic acid
CID 54424803
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 134626810) is 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is RAGBPPHEVYYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c16-13-7-10(4-5-11(13)8-14(20)21)9-2-1-3-12(6-9)15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 298.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 134626810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).