2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid

C9H8F2O2 — CID 141066600

IUPAC2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1CF
InChIInChI=1S/C9H8F2O2/c10-5-7-3-8(11)2-1-6(7)4-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyPOJALJYZQAECBV-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.92
Rot. Bonds3

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

2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid (PubChem CID 141066600) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
PubChem CID141066600
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1CF
InChIInChI=1S/C9H8F2O2/c10-5-7-3-8(11)2-1-6(7)4-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyPOJALJYZQAECBV-UHFFFAOYSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid (CID 141066600) is 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(F)cc1CF.
What is the InChIKey of 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid?
The InChIKey is POJALJYZQAECBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-5-7-3-8(11)2-1-6(7)4-9(12)13/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid?
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid has a molecular weight of 186.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 141066600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).