[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

C13H23F3N2O3 — CID 103217644

IUPAC[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-11(18-17)10-1-4-21-12(7-10)2-5-19-6-3-12/h10-11,18H,1-9,17H2
InChIKeyLHOVEMHFZSGQGT-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.37
Rot. Bonds5

About [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 103217644) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID103217644
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESNNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-11(18-17)10-1-4-21-12(7-10)2-5-19-6-3-12/h10-11,18H,1-9,17H2
InChIKeyLHOVEMHFZSGQGT-UHFFFAOYSA-N
XLogP1.37
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 103217644) is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is NNC(COCC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is LHOVEMHFZSGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c14-13(15,16)9-20-8-11(18-17)10-1-4-21-12(7-10)2-5-19-6-3-12/h10-11,18H,1-9,17H2.
What are the key properties of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 312.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 103217644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).