2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride

C14H9Cl2F3N2 — CID 149251698

IUPAC2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)c1ccccc1NN=C(Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl2F3N2/c15-11-7-3-1-5-9(11)13(16)21-20-12-8-4-2-6-10(12)14(17,18)19/h1-8,20H
InChIKeyGHRRECLRETVOFT-UHFFFAOYSA-N
MW333.14 g/mol
LogP5.37
Rot. Bonds3

About 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride

2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride (PubChem CID 149251698) has the molecular formula C14H9Cl2F3N2 and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
PubChem CID149251698
Molecular FormulaC14H9Cl2F3N2
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Name2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)c1ccccc1NN=C(Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl2F3N2/c15-11-7-3-1-5-9(11)13(16)21-20-12-8-4-2-6-10(12)14(17,18)19/h1-8,20H
InChIKeyGHRRECLRETVOFT-UHFFFAOYSA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.14
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 5372832
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
1-(3-chloro-2-hydroxyphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 87654898
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
(2S,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-oxo-4-[2-(trifluoromethyl)anilino]butanoic acid
CID 126385975
sodium;1-chloro-2-(trifluoromethyl)benzene;hydride
CID 175454034
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The IUPAC name of 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride (CID 149251698) is 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride is FC(F)(F)c1ccccc1NN=C(Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
The InChIKey is GHRRECLRETVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2/c15-11-7-3-1-5-9(11)13(16)21-20-12-8-4-2-6-10(12)14(17,18)19/h1-8,20H.
What are the key properties of 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride?
2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride has a molecular weight of 333.14 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 149251698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).