1-(1,1-difluoroethoxy)-4-ethenylcyclohexane

C10H16F2O — CID 138493518

IUPAC1-(1,1-difluoroethoxy)-4-ethenylcyclohexane
SMILESC=CC1CCC(OC(C)(F)F)CC1
InChIInChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h3,8-9H,1,4-7H2,2H3
InChIKeyMUIGXFNLMWIYTI-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane

1-(1,1-difluoroethoxy)-4-ethenylcyclohexane (PubChem CID 138493518) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-ethenylcyclohexane
PubChem CID138493518
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(1,1-difluoroethoxy)-4-ethenylcyclohexane
SMILESC=CC1CCC(OC(C)(F)F)CC1
InChIInChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h3,8-9H,1,4-7H2,2H3
InChIKeyMUIGXFNLMWIYTI-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane 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 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane (CID 138493518) is 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane is C=CC1CCC(OC(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane?
The InChIKey is MUIGXFNLMWIYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane?
1-(1,1-difluoroethoxy)-4-ethenylcyclohexane has a molecular weight of 190.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-ethenylcyclohexane is sourced from PubChem (CID 138493518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).