1-fluorohexane

C6H13F — CID 9760

IUPAC1-fluorohexane
SMILESCCCCCCF
InChIInChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKeyOFERIJCSHDJMSA-UHFFFAOYSA-N
MW104.17 g/mol
LogP2.54
Rot. Bonds4

About 1-fluorohexane

1-fluorohexane (PubChem CID 9760) has the molecular formula C6H13F and a molecular weight of 104.17 g/mol. Its IUPAC name is 1-fluorohexane.

Molecular Properties

Compound Name1-fluorohexane
PubChem CID9760
Molecular FormulaC6H13F
Molecular Weight104.17 g/mol
Exact Mass104.10
IUPAC Name1-fluorohexane
SMILESCCCCCCF
InChIInChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKeyOFERIJCSHDJMSA-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluorohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Fluoroheptane
CID 12619
1-Fluoropentane
CID 11603
Hydrofluoric acid, reaction products with hexane
CID 88612718
3-Fluoropentane
CID 19428854
1,1,1-Trifluorohexane
CID 14111647
1,6-Difluorohexane
CID 12482116
1,1-Difluorohexane
CID 12776646
2-Fluoropentane
CID 13299938
2-Fluorohexane
CID 13620130
3-Fluorohexane
CID 13620131
2,2-Difluorohexane
CID 12545904
Monofluoro n-heptane
CID 21283929

Frequently Asked Questions

What is the IUPAC name of 1-fluorohexane?
The IUPAC name of 1-fluorohexane (CID 9760) is 1-fluorohexane.
What is the SMILES notation for 1-fluorohexane?
The canonical SMILES for 1-fluorohexane is CCCCCCF.
What is the InChIKey of 1-fluorohexane?
The InChIKey is OFERIJCSHDJMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3.
What are the key properties of 1-fluorohexane?
1-fluorohexane has a molecular weight of 104.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexane is sourced from PubChem (CID 9760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).