4-fluoro-N-methylbutan-2-amine

C5H12FN — CID 54506301

IUPAC4-fluoro-N-methylbutan-2-amine
SMILESCNC(C)CCF
InChIInChI=1S/C5H12FN/c1-5(7-2)3-4-6/h5,7H,3-4H2,1-2H3
InChIKeyYFYNFVYBRNWTCE-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds3

About 4-fluoro-N-methylbutan-2-amine

4-fluoro-N-methylbutan-2-amine (PubChem CID 54506301) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is 4-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-fluoro-N-methylbutan-2-amine
PubChem CID54506301
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name4-fluoro-N-methylbutan-2-amine
SMILESCNC(C)CCF
InChIInChI=1S/C5H12FN/c1-5(7-2)3-4-6/h5,7H,3-4H2,1-2H3
InChIKeyYFYNFVYBRNWTCE-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 4-fluoro-N-methylbutan-2-amine?
The IUPAC name of 4-fluoro-N-methylbutan-2-amine (CID 54506301) is 4-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for 4-fluoro-N-methylbutan-2-amine?
The canonical SMILES for 4-fluoro-N-methylbutan-2-amine is CNC(C)CCF.
What is the InChIKey of 4-fluoro-N-methylbutan-2-amine?
The InChIKey is YFYNFVYBRNWTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(7-2)3-4-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-methylbutan-2-amine?
4-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 4-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 54506301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).