1-fluoro-3-(methylamino)butan-2-one

C5H10FNO — CID 54224330

IUPAC1-fluoro-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)CF
InChIInChI=1S/C5H10FNO/c1-4(7-2)5(8)3-6/h4,7H,3H2,1-2H3
InChIKeyZETINCBZIHXDTI-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.13
Rot. Bonds3

About 1-fluoro-3-(methylamino)butan-2-one

1-fluoro-3-(methylamino)butan-2-one (PubChem CID 54224330) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 1-fluoro-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-fluoro-3-(methylamino)butan-2-one
PubChem CID54224330
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name1-fluoro-3-(methylamino)butan-2-one
SMILESCNC(C)C(=O)CF
InChIInChI=1S/C5H10FNO/c1-4(7-2)5(8)3-6/h4,7H,3H2,1-2H3
InChIKeyZETINCBZIHXDTI-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(methylamino)butan-2-one?
The IUPAC name of 1-fluoro-3-(methylamino)butan-2-one (CID 54224330) is 1-fluoro-3-(methylamino)butan-2-one.
What is the SMILES notation for 1-fluoro-3-(methylamino)butan-2-one?
The canonical SMILES for 1-fluoro-3-(methylamino)butan-2-one is CNC(C)C(=O)CF.
What is the InChIKey of 1-fluoro-3-(methylamino)butan-2-one?
The InChIKey is ZETINCBZIHXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-4(7-2)5(8)3-6/h4,7H,3H2,1-2H3.
What are the key properties of 1-fluoro-3-(methylamino)butan-2-one?
1-fluoro-3-(methylamino)butan-2-one has a molecular weight of 119.14 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(methylamino)butan-2-one is sourced from PubChem (CID 54224330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).