1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one

C12H16FNO — CID 54258845

IUPAC1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one
SMILESCCC(=O)C(c1ccccc1F)N(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(15)12(14(2)3)9-7-5-6-8-10(9)13/h5-8,12H,4H2,1-3H3
InChIKeyRCAOOWCPECGKOY-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.41
Rot. Bonds4

About 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one

1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one (PubChem CID 54258845) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one
PubChem CID54258845
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one
SMILESCCC(=O)C(c1ccccc1F)N(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(15)12(14(2)3)9-7-5-6-8-10(9)13/h5-8,12H,4H2,1-3H3
InChIKeyRCAOOWCPECGKOY-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one?
The IUPAC name of 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one (CID 54258845) is 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one is CCC(=O)C(c1ccccc1F)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one?
The InChIKey is RCAOOWCPECGKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-11(15)12(14(2)3)9-7-5-6-8-10(9)13/h5-8,12H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one?
1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(2-fluorophenyl)butan-2-one is sourced from PubChem (CID 54258845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).