1-fluoro-N-methylbutan-2-amine

C5H12FN — CID 83814954

IUPAC1-fluoro-N-methylbutan-2-amine
SMILESCCC(CF)NC
InChIInChI=1S/C5H12FN/c1-3-5(4-6)7-2/h5,7H,3-4H2,1-2H3
InChIKeyFQZVGIAMQBPQFJ-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds3

About 1-fluoro-N-methylbutan-2-amine

1-fluoro-N-methylbutan-2-amine (PubChem CID 83814954) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is 1-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-fluoro-N-methylbutan-2-amine
PubChem CID83814954
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name1-fluoro-N-methylbutan-2-amine
SMILESCCC(CF)NC
InChIInChI=1S/C5H12FN/c1-3-5(4-6)7-2/h5,7H,3-4H2,1-2H3
InChIKeyFQZVGIAMQBPQFJ-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 1-fluoro-N-methylbutan-2-amine?
The IUPAC name of 1-fluoro-N-methylbutan-2-amine (CID 83814954) is 1-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for 1-fluoro-N-methylbutan-2-amine?
The canonical SMILES for 1-fluoro-N-methylbutan-2-amine is CCC(CF)NC.
What is the InChIKey of 1-fluoro-N-methylbutan-2-amine?
The InChIKey is FQZVGIAMQBPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-3-5(4-6)7-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-N-methylbutan-2-amine?
1-fluoro-N-methylbutan-2-amine has a molecular weight of 105.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 83814954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).