[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C13H23F3N2O3 — CID 103151698

IUPAC[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-19-4-2-11(18-17)10-1-5-21-12(7-10)3-6-20-8-12/h10-11,18H,1-9,17H2
InChIKeyMZTDYRAVTCSCSG-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.37
Rot. Bonds6

About [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151698) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151698
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H23F3N2O3/c14-13(15,16)9-19-4-2-11(18-17)10-1-5-21-12(7-10)3-6-20-8-12/h10-11,18H,1-9,17H2
InChIKeyMZTDYRAVTCSCSG-UHFFFAOYSA-N
XLogP1.37
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(Oxan-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151558
[1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151562
[4-(2,2-Difluoroethoxy)-1-(oxan-4-yl)butan-2-yl]hydrazine
CID 103151878
[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

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151698) is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is MZTDYRAVTCSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c14-13(15,16)9-19-4-2-11(18-17)10-1-5-21-12(7-10)3-6-20-8-12/h10-11,18H,1-9,17H2.
What are the key properties of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 312.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).