2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

C15H10F4O2 — CID 11630778

IUPAC2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4O2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyQBGQCMUMURHSFH-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.14
Rot. Bonds3

About 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 11630778) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID11630778
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4O2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,21)
InChIKeyQBGQCMUMURHSFH-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 11630778) is 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1cc(F)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is QBGQCMUMURHSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[5-fluoro-2-[4-(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-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 11630778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).