1,1-difluoro-4-pentylcyclohexane

C11H20F2 — CID 14618232

IUPAC1,1-difluoro-4-pentylcyclohexane
SMILESCCCCCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2/c1-2-3-4-5-10-6-8-11(12,13)9-7-10/h10H,2-9H2,1H3
InChIKeyAKBCNUYALVQUGW-UHFFFAOYSA-N
MW190.28 g/mol
LogP4.39
Rot. Bonds4

About 1,1-difluoro-4-pentylcyclohexane

1,1-difluoro-4-pentylcyclohexane (PubChem CID 14618232) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1,1-difluoro-4-pentylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-pentylcyclohexane
PubChem CID14618232
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name1,1-difluoro-4-pentylcyclohexane
SMILESCCCCCC1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2/c1-2-3-4-5-10-6-8-11(12,13)9-7-10/h10H,2-9H2,1H3
InChIKeyAKBCNUYALVQUGW-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-4-pentylcyclohexane 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-difluoro-4-pentylcyclohexane?
The IUPAC name of 1,1-difluoro-4-pentylcyclohexane (CID 14618232) is 1,1-difluoro-4-pentylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-pentylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-pentylcyclohexane is CCCCCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-pentylcyclohexane?
The InChIKey is AKBCNUYALVQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2/c1-2-3-4-5-10-6-8-11(12,13)9-7-10/h10H,2-9H2,1H3.
What are the key properties of 1,1-difluoro-4-pentylcyclohexane?
1,1-difluoro-4-pentylcyclohexane has a molecular weight of 190.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-pentylcyclohexane is sourced from PubChem (CID 14618232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).