(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

C9H8F2O4 — CID 170914332

IUPAC(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1cccc(OC(F)F)c1
InChIInChI=1S/C9H8F2O4/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9,12H,(H,13,14)/t7-/m0/s1
InChIKeyPNKWURYXJVZMCT-ZETCQYMHSA-N
MW218.16 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid

(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (PubChem CID 170914332) has the molecular formula C9H8F2O4 and a molecular weight of 218.16 g/mol. Its IUPAC name is (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
PubChem CID170914332
Molecular FormulaC9H8F2O4
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1cccc(OC(F)F)c1
InChIInChI=1S/C9H8F2O4/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9,12H,(H,13,14)/t7-/m0/s1
InChIKeyPNKWURYXJVZMCT-ZETCQYMHSA-N
XLogP1.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone
CID 90344479
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22346232
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid
CID 65067890
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid (CID 170914332) is (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is O=C(O)[C@@H](O)c1cccc(OC(F)F)c1.
What is the InChIKey of (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
The InChIKey is PNKWURYXJVZMCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8F2O4/c10-9(11)15-6-3-1-2-5(4-6)7(12)8(13)14/h1-4,7,9,12H,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid?
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid has a molecular weight of 218.16 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 170914332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).