[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride

C7H7Cl2F3N2 — CID 44717388

IUPAC[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H
InChIKeyIPMASRPDUAIXJX-UHFFFAOYSA-N
MW247.05 g/mol
LogP3.07
Rot. Bonds1

About [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride

[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride (PubChem CID 44717388) has the molecular formula C7H7Cl2F3N2 and a molecular weight of 247.05 g/mol. Its IUPAC name is [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
PubChem CID44717388
Molecular FormulaC7H7Cl2F3N2
Molecular Weight247.05 g/mol
Exact Mass245.99
IUPAC Name[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H
InChIKeyIPMASRPDUAIXJX-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride (CID 44717388) is [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
The InChIKey is IPMASRPDUAIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H.
What are the key properties of [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride?
[2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride has a molecular weight of 247.05 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 44717388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).