[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine

C13H23F3N2O — CID 105206151

IUPAC[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-11(18-17)10-4-7-19-12(8-10)5-2-1-3-6-12/h10-11,18H,1-9,17H2
InChIKeyWCOTZHZJIGIZBU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.90
Rot. Bonds3

About [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine

[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine (PubChem CID 105206151) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
PubChem CID105206151
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)9-11(18-17)10-4-7-19-12(8-10)5-2-1-3-6-12/h10-11,18H,1-9,17H2
InChIKeyWCOTZHZJIGIZBU-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206190
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
CID 105269800
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226279
3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
[2-(2-methylpropylsulfanyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105226976
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
[2-(3-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105204873

Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine (CID 105206151) is [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine is NNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The InChIKey is WCOTZHZJIGIZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)9-11(18-17)10-4-7-19-12(8-10)5-2-1-3-6-12/h10-11,18H,1-9,17H2.
What are the key properties of [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine has a molecular weight of 280.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine is sourced from PubChem (CID 105206151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).