2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride

C8H4Cl2F3NO — CID 153354866

IUPAC2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(8(11,12)13)3-5(6)7(10)14-15/h1-3,15H
InChIKeyRSNDVTMNSVWEQM-UHFFFAOYSA-N
MW258.03 g/mol
LogP3.73
Rot. Bonds1

About 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride

2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 153354866) has the molecular formula C8H4Cl2F3NO and a molecular weight of 258.03 g/mol. Its IUPAC name is 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID153354866
Molecular FormulaC8H4Cl2F3NO
Molecular Weight258.03 g/mol
Exact Mass256.96
IUPAC Name2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(8(11,12)13)3-5(6)7(10)14-15/h1-3,15H
InChIKeyRSNDVTMNSVWEQM-UHFFFAOYSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 155775657
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351
(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 126578214
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772331
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
[(3aS,5R,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-chloro-5-(trifluoromethyl)phenyl]methanone
CID 133110746
[2-chloro-5-(trifluoromethyl)benzoyl]-methyl-methylideneazanium
CID 91608727
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
CID 71212803
CID 71212803
(1Z)-3,4-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 126566494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride (CID 153354866) is 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride is ON=C(Cl)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is RSNDVTMNSVWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3NO/c9-6-2-1-4(8(11,12)13)3-5(6)7(10)14-15/h1-3,15H.
What are the key properties of 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride has a molecular weight of 258.03 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 153354866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).