1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one

C12H13Cl2F2NO — CID 114079761

IUPAC1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1Cl)CC(F)F
InChIInChI=1S/C12H13Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,11H,5-7H2,1H3
InChIKeyAGVDCDQKIQYFQN-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.76
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one

1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one (PubChem CID 114079761) has the molecular formula C12H13Cl2F2NO and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
PubChem CID114079761
Molecular FormulaC12H13Cl2F2NO
Molecular Weight296.14 g/mol
Exact Mass295.03
IUPAC Name1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1Cl)CC(F)F
InChIInChI=1S/C12H13Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,11H,5-7H2,1H3
InChIKeyAGVDCDQKIQYFQN-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
CID 114079785
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 63493359
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
CID 62644011
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one (CID 114079761) is 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one is CN(CCC(=O)c1cccc(Cl)c1Cl)CC(F)F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one?
The InChIKey is AGVDCDQKIQYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,11H,5-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one?
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one has a molecular weight of 296.14 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 114079761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).