2-cyclohexyl-2,3-difluorooxirane

C8H12F2O — CID 12634315

IUPAC2-cyclohexyl-2,3-difluorooxirane
SMILESFC1OC1(F)C1CCCCC1
InChIInChI=1S/C8H12F2O/c9-7-8(10,11-7)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCOFKXKRBVYWYPH-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.56
Rot. Bonds1

About 2-cyclohexyl-2,3-difluorooxirane

2-cyclohexyl-2,3-difluorooxirane (PubChem CID 12634315) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-cyclohexyl-2,3-difluorooxirane.

Molecular Properties

Compound Name2-cyclohexyl-2,3-difluorooxirane
PubChem CID12634315
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-cyclohexyl-2,3-difluorooxirane
SMILESFC1OC1(F)C1CCCCC1
InChIInChI=1S/C8H12F2O/c9-7-8(10,11-7)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyCOFKXKRBVYWYPH-UHFFFAOYSA-N
XLogP2.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.56
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 2-cyclohexyl-2,3-difluorooxirane?
The IUPAC name of 2-cyclohexyl-2,3-difluorooxirane (CID 12634315) is 2-cyclohexyl-2,3-difluorooxirane.
What is the SMILES notation for 2-cyclohexyl-2,3-difluorooxirane?
The canonical SMILES for 2-cyclohexyl-2,3-difluorooxirane is FC1OC1(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,3-difluorooxirane?
The InChIKey is COFKXKRBVYWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c9-7-8(10,11-7)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of 2-cyclohexyl-2,3-difluorooxirane?
2-cyclohexyl-2,3-difluorooxirane has a molecular weight of 162.18 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,3-difluorooxirane is sourced from PubChem (CID 12634315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).