1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one

C11H13ClFNO — CID 112653367

IUPAC1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFNO/c1-14(2)7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5H,6-7H2,1-2H3
InChIKeyNOFOTLYTGIHDAF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one

1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one (PubChem CID 112653367) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
PubChem CID112653367
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFNO/c1-14(2)7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5H,6-7H2,1-2H3
InChIKeyNOFOTLYTGIHDAF-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 112653318
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-4-propoxybutan-2-one
CID 105127073
1-(2-chloro-3-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 105127131
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412
2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535
4-(4-aminophenyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116612829
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
5-(2-aminoethyl)-1-(2-chloro-3-fluorophenyl)octan-2-one
CID 116582948

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one (CID 112653367) is 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one is CN(C)CC(=O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one?
The InChIKey is NOFOTLYTGIHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-14(2)7-9(15)6-8-4-3-5-10(13)11(8)12/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one?
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one has a molecular weight of 229.68 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 112653367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).