[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine

C12H17F3N2 — CID 105211232

IUPAC[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
SMILESCc1ccc(CC(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C12H17F3N2/c1-9-2-4-10(5-3-9)8-11(17-16)6-7-12(13,14)15/h2-5,11,17H,6-8,16H2,1H3
InChIKeyWJCPENDOIVFSIH-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.71
Rot. Bonds5

About [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine

[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine (PubChem CID 105211232) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
PubChem CID105211232
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
SMILESCc1ccc(CC(CCC(F)(F)F)NN)cc1
InChIInChI=1S/C12H17F3N2/c1-9-2-4-10(5-3-9)8-11(17-16)6-7-12(13,14)15/h2-5,11,17H,6-8,16H2,1H3
InChIKeyWJCPENDOIVFSIH-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.71
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

[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
CID 105211311
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
[5,5,5-trifluoro-1-(furan-3-yl)pentan-2-yl]hydrazine
CID 105248962
2-hydrazinyl-N,N-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 105244842
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
CID 105211357
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249000
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine (CID 105211232) is [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine is Cc1ccc(CC(CCC(F)(F)F)NN)cc1.
What is the InChIKey of [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine?
The InChIKey is WJCPENDOIVFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-9-2-4-10(5-3-9)8-11(17-16)6-7-12(13,14)15/h2-5,11,17H,6-8,16H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine?
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine has a molecular weight of 246.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105211232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).