2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C15H10F4O3 — CID 46313376

IUPAC2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(-c2cccc(F)c2)cccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-9-4-1-3-8(7-9)10-5-2-6-11(15(17,18)19)12(10)13(20)14(21)22/h1-7,13,20H,(H,21,22)
InChIKeyKVMWVPFUZNISBF-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.63
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 46313376) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID46313376
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(-c2cccc(F)c2)cccc1C(F)(F)F
InChIInChI=1S/C15H10F4O3/c16-9-4-1-3-8(7-9)10-5-2-6-11(15(17,18)19)12(10)13(20)14(21)22/h1-7,13,20H,(H,21,22)
InChIKeyKVMWVPFUZNISBF-UHFFFAOYSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
2-[2-fluoro-3-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312542
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
CID 134633829
2-[2-fluoro-5-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312557
2-[2-fluoro-4-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312551
2-[3-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 176514359
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994
2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 170879844
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 46313376) is 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1c(-c2cccc(F)c2)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is KVMWVPFUZNISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-9-4-1-3-8(7-9)10-5-2-6-11(15(17,18)19)12(10)13(20)14(21)22/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 314.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 46313376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).