1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone

C8H5ClF3NO — CID 141298206

IUPAC1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1NCl)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-13-6-4-2-1-3-5(6)7(14)8(10,11)12/h1-4,13H
InChIKeyGMJUEMUDNQJREQ-UHFFFAOYSA-N
MW223.58 g/mol
LogP3.00
Rot. Bonds2

About 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone

1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone (PubChem CID 141298206) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
PubChem CID141298206
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1NCl)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-13-6-4-2-1-3-5(6)7(14)8(10,11)12/h1-4,13H
InChIKeyGMJUEMUDNQJREQ-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
2-(chloroamino)benzamide
CID 54562633
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
2,2-dimethyl-5-[[2-(2,2,2-trifluoroacetyl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168540575
ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
CID 144759279
1-[3-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone
CID 87575430
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
CID 151955540
2-(trifluoromethylamino)benzoyl fluoride
CID 15110480
N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 135058825
3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
CID 85271929
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone (CID 141298206) is 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone is O=C(c1ccccc1NCl)C(F)(F)F.
What is the InChIKey of 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is GMJUEMUDNQJREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-13-6-4-2-1-3-5(6)7(14)8(10,11)12/h1-4,13H.
What are the key properties of 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone?
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 223.58 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 141298206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).