3-fluoropentane

C5H10F+ — CID 23235897

IUPAC3-fluoropentane
SMILESCC[C+](F)CC
InChIInChI=1S/C5H10F/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1
InChIKeyRFWAGPLYZPTGSJ-UHFFFAOYSA-N
MW89.13 g/mol
LogP2.31
Rot. Bonds2

About 3-fluoropentane

3-fluoropentane (PubChem CID 23235897) has the molecular formula C5H10F+ and a molecular weight of 89.13 g/mol. Its IUPAC name is 3-fluoropentane.

Molecular Properties

Compound Name3-fluoropentane
PubChem CID23235897
Molecular FormulaC5H10F+
Molecular Weight89.13 g/mol
Exact Mass89.08
IUPAC Name3-fluoropentane
SMILESCC[C+](F)CC
InChIInChI=1S/C5H10F/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1
InChIKeyRFWAGPLYZPTGSJ-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.13
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-fluoropentane 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 3-fluoropentane?
The IUPAC name of 3-fluoropentane (CID 23235897) is 3-fluoropentane.
What is the SMILES notation for 3-fluoropentane?
The canonical SMILES for 3-fluoropentane is CC[C+](F)CC.
What is the InChIKey of 3-fluoropentane?
The InChIKey is RFWAGPLYZPTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1.
What are the key properties of 3-fluoropentane?
3-fluoropentane has a molecular weight of 89.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentane is sourced from PubChem (CID 23235897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).