[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine

C13H19F3N2 — CID 105313895

IUPAC[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
SMILESCc1cc(C)c(C(CCC(F)(F)F)NN)c(C)c1
InChIInChI=1S/C13H19F3N2/c1-8-6-9(2)12(10(3)7-8)11(18-17)4-5-13(14,15)16/h6-7,11,18H,4-5,17H2,1-3H3
InChIKeyVAVOWMJBONBOTK-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.46
Rot. Bonds4

About [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine

[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine (PubChem CID 105313895) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
PubChem CID105313895
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
SMILESCc1cc(C)c(C(CCC(F)(F)F)NN)c(C)c1
InChIInChI=1S/C13H19F3N2/c1-8-6-9(2)12(10(3)7-8)11(18-17)4-5-13(14,15)16/h6-7,11,18H,4-5,17H2,1-3H3
InChIKeyVAVOWMJBONBOTK-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.46
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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Related Compounds

1-(2,4,6-trimethylphenyl)butylhydrazine
CID 105282251
[4-methyl-1-(2,4,6-trimethylphenyl)pentyl]hydrazine
CID 105294214
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
1-(2,4,6-trimethylphenyl)pent-4-enylhydrazine
CID 105311566
[(1S)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 124633921
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
[3-methyl-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105282755
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine (CID 105313895) is [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine is Cc1cc(C)c(C(CCC(F)(F)F)NN)c(C)c1.
What is the InChIKey of [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine?
The InChIKey is VAVOWMJBONBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-8-6-9(2)12(10(3)7-8)11(18-17)4-5-13(14,15)16/h6-7,11,18H,4-5,17H2,1-3H3.
What are the key properties of [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine is sourced from PubChem (CID 105313895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).