[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride

C8H11Cl2F3N2 — CID 56604658

IUPAC[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride
SMILESCl.Cl.NNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2.2ClH/c9-8(10,11)7-3-1-6(2-4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H
InChIKeyVMFVUIMVZRDACD-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.51
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride

[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride (PubChem CID 56604658) has the molecular formula C8H11Cl2F3N2 and a molecular weight of 263.09 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride
PubChem CID56604658
Molecular FormulaC8H11Cl2F3N2
Molecular Weight263.09 g/mol
Exact Mass262.03
IUPAC Name[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride
SMILESCl.Cl.NNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2.2ClH/c9-8(10,11)7-3-1-6(2-4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H
InChIKeyVMFVUIMVZRDACD-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.51
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 [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride?
The IUPAC name of [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride (CID 56604658) is [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride is Cl.Cl.NNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride?
The InChIKey is VMFVUIMVZRDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.2ClH/c9-8(10,11)7-3-1-6(2-4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H.
What are the key properties of [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride?
[4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride has a molecular weight of 263.09 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methylhydrazine;dihydrochloride is sourced from PubChem (CID 56604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).