1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one

C14H19F2NO — CID 58533232

IUPAC1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
SMILESCN(C)C(C(=O)C(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(2,3)13(18)12(17(4)5)10-7-6-9(15)8-11(10)16/h6-8,12H,1-5H3
InChIKeyMDZYWWGCZVWNEY-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one

1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one (PubChem CID 58533232) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
PubChem CID58533232
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
SMILESCN(C)C(C(=O)C(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(2,3)13(18)12(17(4)5)10-7-6-9(15)8-11(10)16/h6-8,12H,1-5H3
InChIKeyMDZYWWGCZVWNEY-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 68648695
tert-butyl N-[2-(2,4-difluorophenyl)butyl]-N-methylcarbamate
CID 145296649
N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide
CID 70941297
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116912073
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one (CID 58533232) is 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one is CN(C)C(C(=O)C(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one?
The InChIKey is MDZYWWGCZVWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2,3)13(18)12(17(4)5)10-7-6-9(15)8-11(10)16/h6-8,12H,1-5H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one?
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one has a molecular weight of 255.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 58533232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).