[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine

C12H21F3N2O2 — CID 105249117

IUPAC[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)3-1-10(17-16)9-2-5-19-11(7-9)4-6-18-8-11/h9-10,17H,1-8,16H2
InChIKeyUNIIANZZJKJEKJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.75
Rot. Bonds4

About [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105249117) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105249117
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)3-1-10(17-16)9-2-5-19-11(7-9)4-6-18-8-11/h9-10,17H,1-8,16H2
InChIKeyUNIIANZZJKJEKJ-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-trifluoropropan-1-amine
CID 79914929
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
CID 79953297
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147980
3-(2,2-Difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148835
[1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151509
[1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151562
[1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151698
[3-(2,2-Difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103151953
[3-(2,2-Difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103152084
[1-(2,6-Dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217671
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312176
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-2,2-difluoroethanamine
CID 103516936

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105249117) is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is UNIIANZZJKJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)3-1-10(17-16)9-2-5-19-11(7-9)4-6-18-8-11/h9-10,17H,1-8,16H2.
What are the key properties of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 282.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105249117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).