1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one

C11H13F2NO — CID 116859934

IUPAC1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1cc(F)ccc1F)N(C)C
InChIInChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3
InChIKeyRAQZHUCPKAWIRH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.16
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one

1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one (PubChem CID 116859934) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
PubChem CID116859934
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1cc(F)ccc1F)N(C)C
InChIInChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3
InChIKeyRAQZHUCPKAWIRH-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

Analyze 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
1-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 68648695
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
CID 116848922
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
2-(2,5-difluorophenyl)propanamide
CID 141213802
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520
methyl (2S)-2-(2,5-difluorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetate
CID 95277206
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
1-[(2,5-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116912071
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
methyl (2S)-2-(2,5-difluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95258293

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one (CID 116859934) is 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one is CC(=O)C(c1cc(F)ccc1F)N(C)C.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one?
The InChIKey is RAQZHUCPKAWIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(15)11(14(2)3)9-6-8(12)4-5-10(9)13/h4-6,11H,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one?
1-(2,5-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-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 116859934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).