1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H8Cl2F3NO — CID 116588698

IUPAC1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(3-8(7)12)9(17)4-16-5-10(13,14)15/h1-3,16H,4-5H2
InChIKeyZWSBJDXNSMSLSQ-UHFFFAOYSA-N
MW286.08 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 116588698) has the molecular formula C10H8Cl2F3NO and a molecular weight of 286.08 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID116588698
Molecular FormulaC10H8Cl2F3NO
Molecular Weight286.08 g/mol
Exact Mass284.99
IUPAC Name1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(3-8(7)12)9(17)4-16-5-10(13,14)15/h1-3,16H,4-5H2
InChIKeyZWSBJDXNSMSLSQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 116588698) is 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is ZWSBJDXNSMSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(3-8(7)12)9(17)4-16-5-10(13,14)15/h1-3,16H,4-5H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 286.08 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 116588698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).