1-fluorobutan-2-one

C4H7FO — CID 12545125

IUPAC1-fluorobutan-2-one
SMILESCCC(=O)CF
InChIInChI=1S/C4H7FO/c1-2-4(6)3-5/h2-3H2,1H3
InChIKeyFHNBVEYDTSGFGE-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.94
Rot. Bonds2

About 1-fluorobutan-2-one

1-fluorobutan-2-one (PubChem CID 12545125) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 1-fluorobutan-2-one.

Molecular Properties

Compound Name1-fluorobutan-2-one
PubChem CID12545125
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name1-fluorobutan-2-one
SMILESCCC(=O)CF
InChIInChI=1S/C4H7FO/c1-2-4(6)3-5/h2-3H2,1H3
InChIKeyFHNBVEYDTSGFGE-UHFFFAOYSA-N
XLogP0.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutan-2-one?
The IUPAC name of 1-fluorobutan-2-one (CID 12545125) is 1-fluorobutan-2-one.
What is the SMILES notation for 1-fluorobutan-2-one?
The canonical SMILES for 1-fluorobutan-2-one is CCC(=O)CF.
What is the InChIKey of 1-fluorobutan-2-one?
The InChIKey is FHNBVEYDTSGFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-2-4(6)3-5/h2-3H2,1H3.
What are the key properties of 1-fluorobutan-2-one?
1-fluorobutan-2-one has a molecular weight of 90.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutan-2-one is sourced from PubChem (CID 12545125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).