1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone

C10H11ClFNO — CID 126971234

IUPAC1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO/c1-13(2)6-10(14)7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyLNNAADADXVGHNG-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.22
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone

1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone (PubChem CID 126971234) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
PubChem CID126971234
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO/c1-13(2)6-10(14)7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyLNNAADADXVGHNG-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
1-(3-chloro-4-fluorophenyl)-4-methylpent-4-en-1-one
CID 114473551
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825514
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentane-1,3-dione
CID 28896606
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanone
CID 82474239
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1,3-dione
CID 12921697
5-bromo-1-(3-chloro-4-fluorophenyl)pentan-1-one
CID 146005628

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone (CID 126971234) is 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone is CN(C)CC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone?
The InChIKey is LNNAADADXVGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13(2)6-10(14)7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone?
1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone has a molecular weight of 215.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 126971234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).