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

C13H9F3OS — CID 10539961

IUPAC2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(C(F)(F)c3cccs3)CO2)cc1
InChIInChI=1S/C13H9F3OS/c14-10-5-3-9(4-6-10)12(8-17-12)13(15,16)11-2-1-7-18-11/h1-7H,8H2
InChIKeyRFNLMEYSJBZWDF-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.90
Rot. Bonds3

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

2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane (PubChem CID 10539961) has the molecular formula C13H9F3OS and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane
PubChem CID10539961
Molecular FormulaC13H9F3OS
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(C(F)(F)c3cccs3)CO2)cc1
InChIInChI=1S/C13H9F3OS/c14-10-5-3-9(4-6-10)12(8-17-12)13(15,16)11-2-1-7-18-11/h1-7H,8H2
InChIKeyRFNLMEYSJBZWDF-UHFFFAOYSA-N
XLogP3.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane?
The IUPAC name of 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane (CID 10539961) is 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane is Fc1ccc(C2(C(F)(F)c3cccs3)CO2)cc1.
What is the InChIKey of 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane?
The InChIKey is RFNLMEYSJBZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OS/c14-10-5-3-9(4-6-10)12(8-17-12)13(15,16)11-2-1-7-18-11/h1-7H,8H2.
What are the key properties of 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane?
2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane has a molecular weight of 270.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(thiophen-2-yl)methyl]-2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 10539961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).