2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane

C16H24F2O — CID 20599556

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C16H24F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h2-3,10,12-15H,4-9,11H2,1H3/b3-2+
InChIKeyBEISGRIYQNDDNA-NSCUHMNNSA-N
MW270.36 g/mol
LogP4.94
Rot. Bonds3

About 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane

2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane (PubChem CID 20599556) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
PubChem CID20599556
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C16H24F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h2-3,10,12-15H,4-9,11H2,1H3/b3-2+
InChIKeyBEISGRIYQNDDNA-NSCUHMNNSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane 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-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane (CID 20599556) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane is C/C=C/C1CCC(C2CCC(C=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane?
The InChIKey is BEISGRIYQNDDNA-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H24F2O/c1-2-3-13-6-9-15(19-11-13)14-7-4-12(5-8-14)10-16(17)18/h2-3,10,12-15H,4-9,11H2,1H3/b3-2+.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane?
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane has a molecular weight of 270.36 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 20599556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).