2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid

C9H9FO3 — CID 117279701

IUPAC2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(CF)cc1
InChIInChI=1S/C9H9FO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyUWYMBLJZGHDKBI-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.27
Rot. Bonds3

About 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid

2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117279701) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117279701
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(CF)cc1
InChIInChI=1S/C9H9FO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyUWYMBLJZGHDKBI-UHFFFAOYSA-N
XLogP1.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
CID 70480259
CID 70480259
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid
CID 167770888

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid (CID 117279701) is 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(CF)cc1.
What is the InChIKey of 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is UWYMBLJZGHDKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13).
What are the key properties of 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117279701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).