4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

C8H4ClF4NO — CID 130174116

IUPAC4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-6(10)5(3-4)8(11,12)13/h1-3,15H
InChIKeyMBULKZQITGGLDR-UHFFFAOYSA-N
MW241.57 g/mol
LogP3.22
Rot. Bonds1

About 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 130174116) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID130174116
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC Name4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-6(10)5(3-4)8(11,12)13/h1-3,15H
InChIKeyMBULKZQITGGLDR-UHFFFAOYSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 53.22
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

4-fluoro-3-(trifluoromethyl)benzenecarbothioamide
CID 82677739
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
4-cyano-3-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 131740876
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylprop-2-en-1-one
CID 115780906
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 177201389

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (CID 130174116) is 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is ON=C(Cl)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is MBULKZQITGGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-6(10)5(3-4)8(11,12)13/h1-3,15H.
What are the key properties of 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride has a molecular weight of 241.57 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 130174116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).