4-ethenyl-1,1-difluorocyclohexane

C8H12F2 — CID 123987847

IUPAC4-ethenyl-1,1-difluorocyclohexane
SMILESC=CC1CCC(F)(F)CC1
InChIInChI=1S/C8H12F2/c1-2-7-3-5-8(9,10)6-4-7/h2,7H,1,3-6H2
InChIKeyQIZBNYOMPZOYNX-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.00
Rot. Bonds1

About 4-ethenyl-1,1-difluorocyclohexane

4-ethenyl-1,1-difluorocyclohexane (PubChem CID 123987847) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 4-ethenyl-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-ethenyl-1,1-difluorocyclohexane
PubChem CID123987847
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name4-ethenyl-1,1-difluorocyclohexane
SMILESC=CC1CCC(F)(F)CC1
InChIInChI=1S/C8H12F2/c1-2-7-3-5-8(9,10)6-4-7/h2,7H,1,3-6H2
InChIKeyQIZBNYOMPZOYNX-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,1-difluorocyclohexane?
The IUPAC name of 4-ethenyl-1,1-difluorocyclohexane (CID 123987847) is 4-ethenyl-1,1-difluorocyclohexane.
What is the SMILES notation for 4-ethenyl-1,1-difluorocyclohexane?
The canonical SMILES for 4-ethenyl-1,1-difluorocyclohexane is C=CC1CCC(F)(F)CC1.
What is the InChIKey of 4-ethenyl-1,1-difluorocyclohexane?
The InChIKey is QIZBNYOMPZOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-2-7-3-5-8(9,10)6-4-7/h2,7H,1,3-6H2.
What are the key properties of 4-ethenyl-1,1-difluorocyclohexane?
4-ethenyl-1,1-difluorocyclohexane has a molecular weight of 146.18 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,1-difluorocyclohexane is sourced from PubChem (CID 123987847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).