2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane

C9H7ClF2O — CID 11183326

IUPAC2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane
SMILESFc1ccc(C2(CCl)CO2)c(F)c1
InChIInChI=1S/C9H7ClF2O/c10-4-9(5-13-9)7-2-1-6(11)3-8(7)12/h1-3H,4-5H2
InChIKeySPHILNHUYNCNSY-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.43
Rot. Bonds2

About 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane

2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane (PubChem CID 11183326) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane
PubChem CID11183326
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane
SMILESFc1ccc(C2(CCl)CO2)c(F)c1
InChIInChI=1S/C9H7ClF2O/c10-4-9(5-13-9)7-2-1-6(11)3-8(7)12/h1-3H,4-5H2
InChIKeySPHILNHUYNCNSY-UHFFFAOYSA-N
XLogP2.43
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane?
The IUPAC name of 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane (CID 11183326) is 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane.
What is the SMILES notation for 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane?
The canonical SMILES for 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane is Fc1ccc(C2(CCl)CO2)c(F)c1.
What is the InChIKey of 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane?
The InChIKey is SPHILNHUYNCNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c10-4-9(5-13-9)7-2-1-6(11)3-8(7)12/h1-3H,4-5H2.
What are the key properties of 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane?
2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane has a molecular weight of 204.60 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(2,4-difluorophenyl)oxirane is sourced from PubChem (CID 11183326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).