[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine

C13H19F3N2 — CID 105193990

IUPAC[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
SMILESCC(C)c1ccc(C(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-9(2)10-3-5-11(6-4-10)12(18-17)7-8-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyWRVFTERMBIAWHH-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.66
Rot. Bonds5

About [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine

[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine (PubChem CID 105193990) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
PubChem CID105193990
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
SMILESCC(C)c1ccc(C(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-9(2)10-3-5-11(6-4-10)12(18-17)7-8-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyWRVFTERMBIAWHH-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.66
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-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
CID 105328860
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
[1-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
[4-phenyl-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193992
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105328962
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
[4,4,4-trifluoro-1-(3,4,5-trimethoxyphenyl)butyl]hydrazine
CID 105313821
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine (CID 105193990) is [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine is CC(C)c1ccc(C(CCC(F)(F)F)NN)cc1.
What is the InChIKey of [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine?
The InChIKey is WRVFTERMBIAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9(2)10-3-5-11(6-4-10)12(18-17)7-8-13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3.
What are the key properties of [4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 3.66, 5 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-(4-propan-2-ylphenyl)butyl]hydrazine is sourced from PubChem (CID 105193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).