1-fluoro-1-(methylamino)propan-2-one

C4H8FNO — CID 54015150

IUPAC1-fluoro-1-(methylamino)propan-2-one
SMILESCNC(F)C(C)=O
InChIInChI=1S/C4H8FNO/c1-3(7)4(5)6-2/h4,6H,1-2H3
InChIKeyQSMCYQARJWKUOI-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.09
Rot. Bonds2

About 1-fluoro-1-(methylamino)propan-2-one

1-fluoro-1-(methylamino)propan-2-one (PubChem CID 54015150) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 1-fluoro-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-fluoro-1-(methylamino)propan-2-one
PubChem CID54015150
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name1-fluoro-1-(methylamino)propan-2-one
SMILESCNC(F)C(C)=O
InChIInChI=1S/C4H8FNO/c1-3(7)4(5)6-2/h4,6H,1-2H3
InChIKeyQSMCYQARJWKUOI-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(methylamino)propan-2-one?
The IUPAC name of 1-fluoro-1-(methylamino)propan-2-one (CID 54015150) is 1-fluoro-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-fluoro-1-(methylamino)propan-2-one?
The canonical SMILES for 1-fluoro-1-(methylamino)propan-2-one is CNC(F)C(C)=O.
What is the InChIKey of 1-fluoro-1-(methylamino)propan-2-one?
The InChIKey is QSMCYQARJWKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(7)4(5)6-2/h4,6H,1-2H3.
What are the key properties of 1-fluoro-1-(methylamino)propan-2-one?
1-fluoro-1-(methylamino)propan-2-one has a molecular weight of 105.11 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(methylamino)propan-2-one is sourced from PubChem (CID 54015150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).