2,3-dicyclohexyl-2,3-difluorooxirane

C14H22F2O — CID 87247506

IUPAC2,3-dicyclohexyl-2,3-difluorooxirane
SMILESFC1(C2CCCCC2)OC1(F)C1CCCCC1
InChIInChI=1S/C14H22F2O/c15-13(11-7-3-1-4-8-11)14(16,17-13)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyCNKLKAHKGRBDHY-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.51
Rot. Bonds2

About 2,3-dicyclohexyl-2,3-difluorooxirane

2,3-dicyclohexyl-2,3-difluorooxirane (PubChem CID 87247506) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 2,3-dicyclohexyl-2,3-difluorooxirane.

Molecular Properties

Compound Name2,3-dicyclohexyl-2,3-difluorooxirane
PubChem CID87247506
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name2,3-dicyclohexyl-2,3-difluorooxirane
SMILESFC1(C2CCCCC2)OC1(F)C1CCCCC1
InChIInChI=1S/C14H22F2O/c15-13(11-7-3-1-4-8-11)14(16,17-13)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyCNKLKAHKGRBDHY-UHFFFAOYSA-N
XLogP4.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.51
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 2,3-dicyclohexyl-2,3-difluorooxirane?
The IUPAC name of 2,3-dicyclohexyl-2,3-difluorooxirane (CID 87247506) is 2,3-dicyclohexyl-2,3-difluorooxirane.
What is the SMILES notation for 2,3-dicyclohexyl-2,3-difluorooxirane?
The canonical SMILES for 2,3-dicyclohexyl-2,3-difluorooxirane is FC1(C2CCCCC2)OC1(F)C1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-2,3-difluorooxirane?
The InChIKey is CNKLKAHKGRBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O/c15-13(11-7-3-1-4-8-11)14(16,17-13)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of 2,3-dicyclohexyl-2,3-difluorooxirane?
2,3-dicyclohexyl-2,3-difluorooxirane has a molecular weight of 244.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-2,3-difluorooxirane is sourced from PubChem (CID 87247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).