(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane

C14H10ClFO — CID 134995811

IUPAC(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane
SMILESFc1ccc([C@H]2O[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClFO/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+/m0/s1
InChIKeyGETRKRCHIPFDBI-UONOGXRCSA-N
MW248.68 g/mol
LogP4.29
Rot. Bonds2

About (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane

(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane (PubChem CID 134995811) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane
PubChem CID134995811
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane
SMILESFc1ccc([C@H]2O[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H10ClFO/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+/m0/s1
InChIKeyGETRKRCHIPFDBI-UONOGXRCSA-N
XLogP4.29
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane?
The IUPAC name of (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane (CID 134995811) is (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane.
What is the SMILES notation for (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane?
The canonical SMILES for (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane is Fc1ccc([C@H]2O[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane?
The InChIKey is GETRKRCHIPFDBI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane?
(2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane has a molecular weight of 248.68 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)oxirane is sourced from PubChem (CID 134995811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).