(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride

C8H4Cl2F3NO — CID 155775657

IUPAC(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=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/b14-7-
InChIKeyRSNDVTMNSVWEQM-AUWJEWJLSA-N
MW258.03 g/mol
LogP3.73
Rot. Bonds1

About (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride

(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 155775657) has the molecular formula C8H4Cl2F3NO and a molecular weight of 258.03 g/mol. Its IUPAC name is (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID155775657
Molecular FormulaC8H4Cl2F3NO
Molecular Weight258.03 g/mol
Exact Mass256.96
IUPAC Name(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=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/b14-7-
InChIKeyRSNDVTMNSVWEQM-AUWJEWJLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride (CID 155775657) is (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride is O/N=C(\Cl)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is RSNDVTMNSVWEQM-AUWJEWJLSA-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/b14-7-.
What are the key properties of (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride?
(1Z)-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 (1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 155775657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).