1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one

C12H15F2NO — CID 79047242

IUPAC1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCN(C)C(C)(C)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7H,1-4H3
InChIKeyOGNKXMJOZOPNPQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one

1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one (PubChem CID 79047242) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one
PubChem CID79047242
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCN(C)C(C)(C)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7H,1-4H3
InChIKeyOGNKXMJOZOPNPQ-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one (CID 79047242) is 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one is CN(C)C(C)(C)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is OGNKXMJOZOPNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2,15(3)4)11(16)8-5-9(13)7-10(14)6-8/h5-7H,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one?
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 79047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).