1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one

C11H13F2NO — CID 90178952

IUPAC1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-5-4-8(12)6-10(9)13/h4-6,11H,1-3H3
InChIKeyMMANBFJSYPQKHU-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.16
Rot. Bonds3

About 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one

1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one (PubChem CID 90178952) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
PubChem CID90178952
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1ccc(F)cc1F)N(C)C
InChIInChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-5-4-8(12)6-10(9)13/h4-6,11H,1-3H3
InChIKeyMMANBFJSYPQKHU-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 68648695
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
N-[2-(2,4-difluorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-2-carboxamide
CID 70941297
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)ethyl acetate
CID 141098399
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one (CID 90178952) is 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one is CC(=O)C(c1ccc(F)cc1F)N(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one?
The InChIKey is MMANBFJSYPQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-5-4-8(12)6-10(9)13/h4-6,11H,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one?
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one has a molecular weight of 213.23 g/mol, XLogP of 2.16, 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)propan-2-one is sourced from PubChem (CID 90178952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).