2-fluorobutane

C4H9F — CID 3013860

IUPAC2-fluorobutane
SMILESCCC(C)F
InChIInChI=1S/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKeyIXHWZHXLJJPXIS-UHFFFAOYSA-N
MW76.11 g/mol
LogP1.75
Rot. Bonds1

About 2-fluorobutane

2-fluorobutane (PubChem CID 3013860) has the molecular formula C4H9F and a molecular weight of 76.11 g/mol. Its IUPAC name is 2-fluorobutane.

Molecular Properties

Compound Name2-fluorobutane
PubChem CID3013860
Molecular FormulaC4H9F
Molecular Weight76.11 g/mol
Exact Mass76.07
IUPAC Name2-fluorobutane
SMILESCCC(C)F
InChIInChI=1S/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKeyIXHWZHXLJJPXIS-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.11
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluorobutane 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 2-fluorobutane?
The IUPAC name of 2-fluorobutane (CID 3013860) is 2-fluorobutane.
What is the SMILES notation for 2-fluorobutane?
The canonical SMILES for 2-fluorobutane is CCC(C)F.
What is the InChIKey of 2-fluorobutane?
The InChIKey is IXHWZHXLJJPXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3.
What are the key properties of 2-fluorobutane?
2-fluorobutane has a molecular weight of 76.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutane is sourced from PubChem (CID 3013860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).