2-fluoro-4-methoxybutan-1-amine

C5H12FNO — CID 105427204

IUPAC2-fluoro-4-methoxybutan-1-amine
SMILESCOCCC(F)CN
InChIInChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3
InChIKeySOUWXKBOYDWJGX-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.32
Rot. Bonds4

About 2-fluoro-4-methoxybutan-1-amine

2-fluoro-4-methoxybutan-1-amine (PubChem CID 105427204) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 2-fluoro-4-methoxybutan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methoxybutan-1-amine
PubChem CID105427204
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name2-fluoro-4-methoxybutan-1-amine
SMILESCOCCC(F)CN
InChIInChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3
InChIKeySOUWXKBOYDWJGX-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-methoxybutan-1-amine 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-fluoro-4-methoxybutan-1-amine?
The IUPAC name of 2-fluoro-4-methoxybutan-1-amine (CID 105427204) is 2-fluoro-4-methoxybutan-1-amine.
What is the SMILES notation for 2-fluoro-4-methoxybutan-1-amine?
The canonical SMILES for 2-fluoro-4-methoxybutan-1-amine is COCCC(F)CN.
What is the InChIKey of 2-fluoro-4-methoxybutan-1-amine?
The InChIKey is SOUWXKBOYDWJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-4-methoxybutan-1-amine?
2-fluoro-4-methoxybutan-1-amine has a molecular weight of 121.15 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxybutan-1-amine is sourced from PubChem (CID 105427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).