[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride

C13H12ClF3N2 — CID 171157644

IUPAC[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2.ClH/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(8-9)18-17;/h1-8,18H,17H2;1H
InChIKeyJVBJNVFQAZASDC-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.08
Rot. Bonds2

About [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride

[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride (PubChem CID 171157644) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride
PubChem CID171157644
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2.ClH/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(8-9)18-17;/h1-8,18H,17H2;1H
InChIKeyJVBJNVFQAZASDC-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.08
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 [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride?
The IUPAC name of [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride (CID 171157644) is [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride?
The canonical SMILES for [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride is Cl.NNc1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride?
The InChIKey is JVBJNVFQAZASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2.ClH/c14-13(15,16)12-7-2-1-6-11(12)9-4-3-5-10(8-9)18-17;/h1-8,18H,17H2;1H.
What are the key properties of [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride?
[3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride has a molecular weight of 288.70 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethyl)phenyl]phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 171157644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).