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

C5H12FN — CID 170413694

IUPAC(3S)-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?/m0/s1
InChIKeyYWNDISIMVNZYBN-ROLXFIACSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds2

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

(3S)-3-fluoro-N-methylbutan-2-amine (PubChem CID 170413694) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is (3S)-3-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name(3S)-3-fluoro-N-methylbutan-2-amine
PubChem CID170413694
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name(3S)-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?/m0/s1
InChIKeyYWNDISIMVNZYBN-ROLXFIACSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-methylbutan-2-amine?
The IUPAC name of (3S)-3-fluoro-N-methylbutan-2-amine (CID 170413694) is (3S)-3-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for (3S)-3-fluoro-N-methylbutan-2-amine?
The canonical SMILES for (3S)-3-fluoro-N-methylbutan-2-amine is CNC(C)[C@H](C)F.
What is the InChIKey of (3S)-3-fluoro-N-methylbutan-2-amine?
The InChIKey is YWNDISIMVNZYBN-ROLXFIACSA-N. The full InChI is InChI=1S/C5H12FN/c1-4(6)5(2)7-3/h4-5,7H,1-3H3/t4-,5?/m0/s1.
What are the key properties of (3S)-3-fluoro-N-methylbutan-2-amine?
(3S)-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 (3S)-3-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 170413694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).