[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine

C13H19F3N2 — CID 105304769

IUPAC[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCCC(CC)C(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-9(4-2)12(18-17)10-7-5-6-8-11(10)13(14,15)16/h5-9,12,18H,3-4,17H2,1-2H3
InChIKeySPYKBSWKQLYRSL-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.65
Rot. Bonds5

About [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine

[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine (PubChem CID 105304769) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
PubChem CID105304769
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
SMILESCCC(CC)C(NN)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-9(4-2)12(18-17)10-7-5-6-8-11(10)13(14,15)16/h5-9,12,18H,3-4,17H2,1-2H3
InChIKeySPYKBSWKQLYRSL-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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'}

Analyze [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-ethyl-1-[2-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105304814
[2-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105304834
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
3-hydrazinyl-N,N-dimethyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105259265
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
[(2,2-dimethylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107005670

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine?
The IUPAC name of [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine (CID 105304769) is [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine.
What is the SMILES notation for [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine?
The canonical SMILES for [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine is CCC(CC)C(NN)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine?
The InChIKey is SPYKBSWKQLYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-9(4-2)12(18-17)10-7-5-6-8-11(10)13(14,15)16/h5-9,12,18H,3-4,17H2,1-2H3.
What are the key properties of [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine?
[2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine is sourced from PubChem (CID 105304769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).