1-fluorooctane

C8H17F — CID 10027

IUPAC1-fluorooctane
SMILESCCCCCCCCF
InChIInChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKeyDHIVLKMGKIZOHF-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.32
Rot. Bonds6

About 1-fluorooctane

1-fluorooctane (PubChem CID 10027) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 1-fluorooctane.

Molecular Properties

Compound Name1-fluorooctane
PubChem CID10027
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name1-fluorooctane
SMILESCCCCCCCCF
InChIInChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKeyDHIVLKMGKIZOHF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluorooctane 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-fluorooctane?
The IUPAC name of 1-fluorooctane (CID 10027) is 1-fluorooctane.
What is the SMILES notation for 1-fluorooctane?
The canonical SMILES for 1-fluorooctane is CCCCCCCCF.
What is the InChIKey of 1-fluorooctane?
The InChIKey is DHIVLKMGKIZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3.
What are the key properties of 1-fluorooctane?
1-fluorooctane has a molecular weight of 132.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooctane is sourced from PubChem (CID 10027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).