2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane

C13H8F4OS — CID 10850870

IUPAC2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane
SMILESFc1ccc(C2(C(F)(F)c3cccs3)CO2)c(F)c1
InChIInChI=1S/C13H8F4OS/c14-8-3-4-9(10(15)6-8)12(7-18-12)13(16,17)11-2-1-5-19-11/h1-6H,7H2
InChIKeyIRGULSDXNTZHEM-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.04
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane

2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane (PubChem CID 10850870) has the molecular formula C13H8F4OS and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane
PubChem CID10850870
Molecular FormulaC13H8F4OS
Molecular Weight288.27 g/mol
Exact Mass288.02
IUPAC Name2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane
SMILESFc1ccc(C2(C(F)(F)c3cccs3)CO2)c(F)c1
InChIInChI=1S/C13H8F4OS/c14-8-3-4-9(10(15)6-8)12(7-18-12)13(16,17)11-2-1-5-19-11/h1-6H,7H2
InChIKeyIRGULSDXNTZHEM-UHFFFAOYSA-N
XLogP4.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]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-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane?
The IUPAC name of 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane (CID 10850870) is 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane is Fc1ccc(C2(C(F)(F)c3cccs3)CO2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane?
The InChIKey is IRGULSDXNTZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4OS/c14-8-3-4-9(10(15)6-8)12(7-18-12)13(16,17)11-2-1-5-19-11/h1-6H,7H2.
What are the key properties of 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane?
2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane has a molecular weight of 288.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-[difluoro(thiophen-2-yl)methyl]oxirane is sourced from PubChem (CID 10850870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).