(3R)-3-fluoro-N-methylbutan-2-amine

C5H12FN — CID 149445057

IUPAC(3R)-3-fluoro-N-methylbutan-2-amine
SMILESCNC(C)[C@@H](C)F
InChIInChI=1S/C5H12FN/c1-4(6)5(2)7-3/h4-5,7H,1-3H3/t4-,5?/m1/s1
InChIKeyYWNDISIMVNZYBN-CNZKWPKMSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds2

About (3R)-3-fluoro-N-methylbutan-2-amine

(3R)-3-fluoro-N-methylbutan-2-amine (PubChem CID 149445057) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is (3R)-3-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name(3R)-3-fluoro-N-methylbutan-2-amine
PubChem CID149445057
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name(3R)-3-fluoro-N-methylbutan-2-amine
SMILESCNC(C)[C@@H](C)F
InChIInChI=1S/C5H12FN/c1-4(6)5(2)7-3/h4-5,7H,1-3H3/t4-,5?/m1/s1
InChIKeyYWNDISIMVNZYBN-CNZKWPKMSA-N
XLogP0.95
TPSA12.03 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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-fluoro-N-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 (3R)-3-fluoro-N-methylbutan-2-amine?
The IUPAC name of (3R)-3-fluoro-N-methylbutan-2-amine (CID 149445057) is (3R)-3-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for (3R)-3-fluoro-N-methylbutan-2-amine?
The canonical SMILES for (3R)-3-fluoro-N-methylbutan-2-amine is CNC(C)[C@@H](C)F.
What is the InChIKey of (3R)-3-fluoro-N-methylbutan-2-amine?
The InChIKey is YWNDISIMVNZYBN-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H12FN/c1-4(6)5(2)7-3/h4-5,7H,1-3H3/t4-,5?/m1/s1.
What are the key properties of (3R)-3-fluoro-N-methylbutan-2-amine?
(3R)-3-fluoro-N-methylbutan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 149445057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).