1-fluoropentane

C5H11F — CID 11603

IUPAC1-fluoropentane
SMILESCCCCCF
InChIInChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyOEPRBXUJOQLYID-UHFFFAOYSA-N
MW90.14 g/mol
LogP2.15
Rot. Bonds3

About 1-fluoropentane

1-fluoropentane (PubChem CID 11603) has the molecular formula C5H11F and a molecular weight of 90.14 g/mol. Its IUPAC name is 1-fluoropentane.

Molecular Properties

Compound Name1-fluoropentane
PubChem CID11603
Molecular FormulaC5H11F
Molecular Weight90.14 g/mol
Exact Mass90.08
IUPAC Name1-fluoropentane
SMILESCCCCCF
InChIInChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3
InChIKeyOEPRBXUJOQLYID-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.14
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoropentane 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-Fluorohexane
CID 9760
1-Fluoroheptane
CID 12619
1-Fluorobutane
CID 16908
3-Fluoropentane
CID 19428854
2,2-Difluoropentane
CID 520839
2-Fluorobutane
CID 3013860
2-Fluoropentane
CID 13299938
3,3-Difluoropentane
CID 13459596
2-Fluorohexane
CID 13620130
3-Fluorohexane
CID 13620131
1,1,1-Trifluoropentane
CID 228005
Pentylidene difluoride
CID 18967887

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentane?
The IUPAC name of 1-fluoropentane (CID 11603) is 1-fluoropentane.
What is the SMILES notation for 1-fluoropentane?
The canonical SMILES for 1-fluoropentane is CCCCCF.
What is the InChIKey of 1-fluoropentane?
The InChIKey is OEPRBXUJOQLYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3.
What are the key properties of 1-fluoropentane?
1-fluoropentane has a molecular weight of 90.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentane is sourced from PubChem (CID 11603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).