3-fluorobutanamide

C4H8FNO — CID 87189810

IUPAC3-fluorobutanamide
SMILESCC(F)CC(N)=O
InChIInChI=1S/C4H8FNO/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKeyVZDFJBKPSZBWTP-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.22
Rot. Bonds2

About 3-fluorobutanamide

3-fluorobutanamide (PubChem CID 87189810) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 3-fluorobutanamide.

Molecular Properties

Compound Name3-fluorobutanamide
PubChem CID87189810
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name3-fluorobutanamide
SMILESCC(F)CC(N)=O
InChIInChI=1S/C4H8FNO/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKeyVZDFJBKPSZBWTP-UHFFFAOYSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluorobutanamide 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-fluorobutanamide?
The IUPAC name of 3-fluorobutanamide (CID 87189810) is 3-fluorobutanamide.
What is the SMILES notation for 3-fluorobutanamide?
The canonical SMILES for 3-fluorobutanamide is CC(F)CC(N)=O.
What is the InChIKey of 3-fluorobutanamide?
The InChIKey is VZDFJBKPSZBWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H2,6,7).
What are the key properties of 3-fluorobutanamide?
3-fluorobutanamide has a molecular weight of 105.11 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutanamide is sourced from PubChem (CID 87189810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).