(2S)-1-fluoro-3-methylbutan-2-amine

C5H12FN — CID 55290388

IUPAC(2S)-1-fluoro-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CF
InChIInChI=1S/C5H12FN/c1-4(2)5(7)3-6/h4-5H,3,7H2,1-2H3/t5-/m1/s1
InChIKeyZRJYSDSGKGRTJF-RXMQYKEDSA-N
MW105.16 g/mol
LogP0.94
Rot. Bonds2

About (2S)-1-fluoro-3-methylbutan-2-amine

(2S)-1-fluoro-3-methylbutan-2-amine (PubChem CID 55290388) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is (2S)-1-fluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-methylbutan-2-amine
PubChem CID55290388
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name(2S)-1-fluoro-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CF
InChIInChI=1S/C5H12FN/c1-4(2)5(7)3-6/h4-5H,3,7H2,1-2H3/t5-/m1/s1
InChIKeyZRJYSDSGKGRTJF-RXMQYKEDSA-N
XLogP0.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-fluoro-3-methylbutan-2-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 (2S)-1-fluoro-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-methylbutan-2-amine (CID 55290388) is (2S)-1-fluoro-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-methylbutan-2-amine is CC(C)[C@H](N)CF.
What is the InChIKey of (2S)-1-fluoro-3-methylbutan-2-amine?
The InChIKey is ZRJYSDSGKGRTJF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12FN/c1-4(2)5(7)3-6/h4-5H,3,7H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-1-fluoro-3-methylbutan-2-amine?
(2S)-1-fluoro-3-methylbutan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-methylbutan-2-amine is sourced from PubChem (CID 55290388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).