1-fluorooctylcyclohexane

C14H27F — CID 67688316

IUPAC1-fluorooctylcyclohexane
SMILESCCCCCCCC(F)C1CCCCC1
InChIInChI=1S/C14H27F/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h13-14H,2-12H2,1H3
InChIKeyXYNDTAIBGWVCDT-UHFFFAOYSA-N
MW214.37 g/mol
LogP5.27
Rot. Bonds7

About 1-fluorooctylcyclohexane

1-fluorooctylcyclohexane (PubChem CID 67688316) has the molecular formula C14H27F and a molecular weight of 214.37 g/mol. Its IUPAC name is 1-fluorooctylcyclohexane.

Molecular Properties

Compound Name1-fluorooctylcyclohexane
PubChem CID67688316
Molecular FormulaC14H27F
Molecular Weight214.37 g/mol
Exact Mass214.21
IUPAC Name1-fluorooctylcyclohexane
SMILESCCCCCCCC(F)C1CCCCC1
InChIInChI=1S/C14H27F/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h13-14H,2-12H2,1H3
InChIKeyXYNDTAIBGWVCDT-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluorooctylcyclohexane 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-fluorooctylcyclohexane?
The IUPAC name of 1-fluorooctylcyclohexane (CID 67688316) is 1-fluorooctylcyclohexane.
What is the SMILES notation for 1-fluorooctylcyclohexane?
The canonical SMILES for 1-fluorooctylcyclohexane is CCCCCCCC(F)C1CCCCC1.
What is the InChIKey of 1-fluorooctylcyclohexane?
The InChIKey is XYNDTAIBGWVCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-fluorooctylcyclohexane?
1-fluorooctylcyclohexane has a molecular weight of 214.37 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooctylcyclohexane is sourced from PubChem (CID 67688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).