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

C12H16FNO — CID 174768245

IUPAC2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
SMILESCCC(C(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(14(2)3)12(15)9-7-5-6-8-10(9)13/h5-8,11H,4H2,1-3H3
InChIKeyIOCNKZOWSHZSNI-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.35
Rot. Bonds4

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

2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one (PubChem CID 174768245) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
PubChem CID174768245
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
SMILESCCC(C(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C12H16FNO/c1-4-11(14(2)3)12(15)9-7-5-6-8-10(9)13/h5-8,11H,4H2,1-3H3
InChIKeyIOCNKZOWSHZSNI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
1,1-dichloroethane;2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one
CID 174893820
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456290
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
3-(dibutylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996505
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726
ethyl (2R)-2-(2-fluorobenzoyl)-3-oxobutanoate
CID 98099859
1-(dimethylamino)ethyl 2-fluorobenzoate
CID 175337343

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one (CID 174768245) is 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one is CCC(C(=O)c1ccccc1F)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one?
The InChIKey is IOCNKZOWSHZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-11(14(2)3)12(15)9-7-5-6-8-10(9)13/h5-8,11H,4H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one?
2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 174768245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).