(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

C8H3Cl2F4NO — CID 126578214

IUPAC(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3Cl2F4NO/c9-4-2-1-3(7(10)15-16)6(11)5(4)8(12,13)14/h1-2,16H/b15-7+
InChIKeyUZXQVSRYOGQVOU-VIZOYTHASA-N
MW276.02 g/mol
LogP3.87
Rot. Bonds1

About (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 126578214) has the molecular formula C8H3Cl2F4NO and a molecular weight of 276.02 g/mol. Its IUPAC name is (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID126578214
Molecular FormulaC8H3Cl2F4NO
Molecular Weight276.02 g/mol
Exact Mass274.95
IUPAC Name(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(Cl)c(C(F)(F)F)c1F
InChIInChI=1S/C8H3Cl2F4NO/c9-4-2-1-3(7(10)15-16)6(11)5(4)8(12,13)14/h1-2,16H/b15-7+
InChIKeyUZXQVSRYOGQVOU-VIZOYTHASA-N
XLogP3.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.02
LogP ≤ 53.87
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-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772331
(1Z)-3,4-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 126566494
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 153354866
(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 155775657
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
CID 126578212
4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140871500
(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 126578199
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351
4-chloro-3-fluoro-2-(trifluoromethyl)benzoic acid
CID 54115095
(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951

Frequently Asked Questions

What is the IUPAC name of (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (CID 126578214) is (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is O/N=C(/Cl)c1ccc(Cl)c(C(F)(F)F)c1F.
What is the InChIKey of (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is UZXQVSRYOGQVOU-VIZOYTHASA-N. The full InChI is InChI=1S/C8H3Cl2F4NO/c9-4-2-1-3(7(10)15-16)6(11)5(4)8(12,13)14/h1-2,16H/b15-7+.
What are the key properties of (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride has a molecular weight of 276.02 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 126578214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).