2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid

C9H6F4O2 — CID 2759172

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChIKeyLQIBHDUPSIQRPV-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.47
Rot. Bonds2

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid

2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 2759172) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID2759172
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChIKeyLQIBHDUPSIQRPV-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid (CID 2759172) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is LQIBHDUPSIQRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15).
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 222.14 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 2759172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).