3,3-difluoroprop-2-enylcyclohexane

C9H14F2 — CID 57083721

IUPAC3,3-difluoroprop-2-enylcyclohexane
SMILESFC(F)=CCC1CCCCC1
InChIInChI=1S/C9H14F2/c10-9(11)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyPWWJNAIBDQNHGN-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.74
Rot. Bonds2

About 3,3-difluoroprop-2-enylcyclohexane

3,3-difluoroprop-2-enylcyclohexane (PubChem CID 57083721) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enylcyclohexane.

Molecular Properties

Compound Name3,3-difluoroprop-2-enylcyclohexane
PubChem CID57083721
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,3-difluoroprop-2-enylcyclohexane
SMILESFC(F)=CCC1CCCCC1
InChIInChI=1S/C9H14F2/c10-9(11)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyPWWJNAIBDQNHGN-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-difluoroprop-2-enylcyclohexane 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 3,3-difluoroprop-2-enylcyclohexane?
The IUPAC name of 3,3-difluoroprop-2-enylcyclohexane (CID 57083721) is 3,3-difluoroprop-2-enylcyclohexane.
What is the SMILES notation for 3,3-difluoroprop-2-enylcyclohexane?
The canonical SMILES for 3,3-difluoroprop-2-enylcyclohexane is FC(F)=CCC1CCCCC1.
What is the InChIKey of 3,3-difluoroprop-2-enylcyclohexane?
The InChIKey is PWWJNAIBDQNHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c10-9(11)7-6-8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 3,3-difluoroprop-2-enylcyclohexane?
3,3-difluoroprop-2-enylcyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enylcyclohexane is sourced from PubChem (CID 57083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).