[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine

C13H19F3N2 — CID 105248876

IUPAC[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESCCc1ccc(CC(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-2-10-3-5-11(6-4-10)9-12(18-17)7-8-13(14,15)16/h3-6,12,18H,2,7-9,17H2,1H3
InChIKeyOVDAUOIPYFSGGS-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.97
Rot. Bonds6

About [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine

[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine (PubChem CID 105248876) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
PubChem CID105248876
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESCCc1ccc(CC(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-2-10-3-5-11(6-4-10)9-12(18-17)7-8-13(14,15)16/h3-6,12,18H,2,7-9,17H2,1H3
InChIKeyOVDAUOIPYFSGGS-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.97
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

[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
CID 105211311
[1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249000
[5,5,5-trifluoro-1-(furan-3-yl)pentan-2-yl]hydrazine
CID 105248962
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The IUPAC name of [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine (CID 105248876) is [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine is CCc1ccc(CC(CCC(F)(F)F)NN)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The InChIKey is OVDAUOIPYFSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-2-10-3-5-11(6-4-10)9-12(18-17)7-8-13(14,15)16/h3-6,12,18H,2,7-9,17H2,1H3.
What are the key properties of [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine?
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine is sourced from PubChem (CID 105248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).