(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid

C9H7FO3 — CID 95212331

IUPAC(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H]1c1cccc(F)c1
InChIInChI=1S/C9H7FO3/c10-6-3-1-2-5(4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H,11,12)/t7-,8-/m1/s1
InChIKeyHVZSTHNSMLBPRD-HTQZYQBOSA-N
MW182.15 g/mol
LogP1.35
Rot. Bonds2

About (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid

(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid (PubChem CID 95212331) has the molecular formula C9H7FO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid
PubChem CID95212331
Molecular FormulaC9H7FO3
Molecular Weight182.15 g/mol
Exact Mass182.04
IUPAC Name(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H]1c1cccc(F)c1
InChIInChI=1S/C9H7FO3/c10-6-3-1-2-5(4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H,11,12)/t7-,8-/m1/s1
InChIKeyHVZSTHNSMLBPRD-HTQZYQBOSA-N
XLogP1.35
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic 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

methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361
3-(3-methylphenyl)oxirane-2-carboxylic acid
CID 53256654
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 70316261
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
3-(2,3,4,5,6-pentafluorophenyl)oxirane-2-carboxylic acid
CID 88707298
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306
4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
CID 119054767
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
(3R,4R)-4-(3-fluorophenyl)oxane-3-carboxylic acid
CID 178190203
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid (CID 95212331) is (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid is O=C(O)[C@@H]1O[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid?
The InChIKey is HVZSTHNSMLBPRD-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H7FO3/c10-6-3-1-2-5(4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid?
(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid has a molecular weight of 182.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid is sourced from PubChem (CID 95212331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).