4-(dimethylamino)-3-fluorobutan-2-one

C6H12FNO — CID 139565609

IUPAC4-(dimethylamino)-3-fluorobutan-2-one
SMILESCC(=O)C(F)CN(C)C
InChIInChI=1S/C6H12FNO/c1-5(9)6(7)4-8(2)3/h6H,4H2,1-3H3
InChIKeyQQYQCPQFFSZBFX-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.48
Rot. Bonds3

About 4-(dimethylamino)-3-fluorobutan-2-one

4-(dimethylamino)-3-fluorobutan-2-one (PubChem CID 139565609) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluorobutan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluorobutan-2-one
PubChem CID139565609
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-(dimethylamino)-3-fluorobutan-2-one
SMILESCC(=O)C(F)CN(C)C
InChIInChI=1S/C6H12FNO/c1-5(9)6(7)4-8(2)3/h6H,4H2,1-3H3
InChIKeyQQYQCPQFFSZBFX-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluorobutan-2-one?
The IUPAC name of 4-(dimethylamino)-3-fluorobutan-2-one (CID 139565609) is 4-(dimethylamino)-3-fluorobutan-2-one.
What is the SMILES notation for 4-(dimethylamino)-3-fluorobutan-2-one?
The canonical SMILES for 4-(dimethylamino)-3-fluorobutan-2-one is CC(=O)C(F)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3-fluorobutan-2-one?
The InChIKey is QQYQCPQFFSZBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(9)6(7)4-8(2)3/h6H,4H2,1-3H3.
What are the key properties of 4-(dimethylamino)-3-fluorobutan-2-one?
4-(dimethylamino)-3-fluorobutan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluorobutan-2-one is sourced from PubChem (CID 139565609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).