(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride

C8H5ClF3NO — CID 51503951

IUPAC(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7(13-14)5-3-1-2-4-6(5)8(10,11)12/h1-4,14H/b13-7+
InChIKeyQKICFEIYQLMRAK-NTUHNPAUSA-N
MW223.58 g/mol
LogP3.08
Rot. Bonds1

About (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride

(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 51503951) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID51503951
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-7(13-14)5-3-1-2-4-6(5)8(10,11)12/h1-4,14H/b13-7+
InChIKeyQKICFEIYQLMRAK-NTUHNPAUSA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 53.08
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'}

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Related Compounds

(1Z)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride;(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172962430
(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
CID 154038500
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 159696978
(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 177201389
2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
CID 149251698
4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 130174116
potassium 2-(trifluoromethyl)benzoate
CID 162538888
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 126578214
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(4-chlorophenyl) 2-(trifluoromethyl)benzoate
CID 532424

Frequently Asked Questions

What is the IUPAC name of (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride (CID 51503951) is (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride is O/N=C(/Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is QKICFEIYQLMRAK-NTUHNPAUSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-7(13-14)5-3-1-2-4-6(5)8(10,11)12/h1-4,14H/b13-7+.
What are the key properties of (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride?
(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride has a molecular weight of 223.58 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 51503951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).