[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine

C13H19F3N2 — CID 105211311

IUPAC[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
SMILESCc1ccc(CC(CCCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-10-4-6-11(7-5-10)9-12(18-17)3-2-8-13(14,15)16/h4-7,12,18H,2-3,8-9,17H2,1H3
InChIKeyZPOISIUDUUEPBY-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.10
Rot. Bonds6

About [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine

[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine (PubChem CID 105211311) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine.

Molecular Properties

Compound Name[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
PubChem CID105211311
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
SMILESCc1ccc(CC(CCCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H19F3N2/c1-10-4-6-11(7-5-10)9-12(18-17)3-2-8-13(14,15)16/h4-7,12,18H,2-3,8-9,17H2,1H3
InChIKeyZPOISIUDUUEPBY-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
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
(8,8,8-trifluoro-2-methyloctan-4-yl)hydrazine
CID 105198922
1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
CID 105211357
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570

Frequently Asked Questions

What is the IUPAC name of [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine?
The IUPAC name of [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine (CID 105211311) is [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine.
What is the SMILES notation for [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine?
The canonical SMILES for [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine is Cc1ccc(CC(CCCC(F)(F)F)NN)cc1.
What is the InChIKey of [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine?
The InChIKey is ZPOISIUDUUEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10-4-6-11(7-5-10)9-12(18-17)3-2-8-13(14,15)16/h4-7,12,18H,2-3,8-9,17H2,1H3.
What are the key properties of [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine?
[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine has a molecular weight of 260.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine is sourced from PubChem (CID 105211311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).