1-[4-(trifluoromethyl)phenyl]butylhydrazine

C11H15F3N2 — CID 58986237

IUPAC1-[4-(trifluoromethyl)phenyl]butylhydrazine
SMILESCCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-2-3-10(16-15)8-4-6-9(7-5-8)11(12,13)14/h4-7,10,16H,2-3,15H2,1H3
InChIKeyBXKAYEBQZRHDGB-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-(trifluoromethyl)phenyl]butylhydrazine

1-[4-(trifluoromethyl)phenyl]butylhydrazine (PubChem CID 58986237) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]butylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]butylhydrazine
PubChem CID58986237
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-[4-(trifluoromethyl)phenyl]butylhydrazine
SMILESCCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2/c1-2-3-10(16-15)8-4-6-9(7-5-8)11(12,13)14/h4-7,10,16H,2-3,15H2,1H3
InChIKeyBXKAYEBQZRHDGB-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.01
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 1-[4-(trifluoromethyl)phenyl]butylhydrazine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]butylhydrazine (CID 58986237) is 1-[4-(trifluoromethyl)phenyl]butylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]butylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]butylhydrazine is CCCC(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]butylhydrazine?
The InChIKey is BXKAYEBQZRHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-3-10(16-15)8-4-6-9(7-5-8)11(12,13)14/h4-7,10,16H,2-3,15H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]butylhydrazine?
1-[4-(trifluoromethyl)phenyl]butylhydrazine has a molecular weight of 232.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]butylhydrazine is sourced from PubChem (CID 58986237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).