2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

C9H6F4O2 — CID 2737590

IUPAC2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyZVXIGDPHHXXMMF-UHFFFAOYSA-N
MW222.14 g/mol
LogP2.47
Rot. Bonds2

About 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid

2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid (PubChem CID 2737590) has the molecular formula C9H6F4O2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
PubChem CID2737590
Molecular FormulaC9H6F4O2
Molecular Weight222.14 g/mol
Exact Mass222.03
IUPAC Name2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyZVXIGDPHHXXMMF-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-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid (CID 2737590) is 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ZVXIGDPHHXXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid?
2-[2-fluoro-6-(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-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 2737590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).