[3-(trifluoromethyl)phenyl]methylhydrazine

C8H9F3N2 — CID 599698

IUPAC[3-(trifluoromethyl)phenyl]methylhydrazine
SMILESNNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-2-6(4-7)5-13-12/h1-4,13H,5,12H2
InChIKeyZWJSVMVEQWKXJZ-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.67
Rot. Bonds2

About [3-(trifluoromethyl)phenyl]methylhydrazine

[3-(trifluoromethyl)phenyl]methylhydrazine (PubChem CID 599698) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methylhydrazine.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methylhydrazine
PubChem CID599698
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name[3-(trifluoromethyl)phenyl]methylhydrazine
SMILESNNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-2-6(4-7)5-13-12/h1-4,13H,5,12H2
InChIKeyZWJSVMVEQWKXJZ-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.67
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-(trifluoromethyl)phenyl]methylhydrazine?
The IUPAC name of [3-(trifluoromethyl)phenyl]methylhydrazine (CID 599698) is [3-(trifluoromethyl)phenyl]methylhydrazine.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methylhydrazine?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methylhydrazine is NNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methylhydrazine?
The InChIKey is ZWJSVMVEQWKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-2-6(4-7)5-13-12/h1-4,13H,5,12H2.
What are the key properties of [3-(trifluoromethyl)phenyl]methylhydrazine?
[3-(trifluoromethyl)phenyl]methylhydrazine has a molecular weight of 190.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methylhydrazine is sourced from PubChem (CID 599698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).