[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C13H23F3N2O2 — CID 103151509

IUPAC[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)9-19-6-3-11(18-17)10-2-7-20-12(8-10)4-1-5-12/h10-11,18H,1-9,17H2
InChIKeyRXRFHWCDJBFPDZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.14
Rot. Bonds6

About [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151509) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151509
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23F3N2O2/c14-13(15,16)9-19-6-3-11(18-17)10-2-7-20-12(8-10)4-1-5-12/h10-11,18H,1-9,17H2
InChIKeyRXRFHWCDJBFPDZ-UHFFFAOYSA-N
XLogP2.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,3,3-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915272
4,4,4-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79953913
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148203
3-(2,2-Difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 103149111
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151501
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539
[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

Frequently Asked Questions

What is the IUPAC name of [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151509) is [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is RXRFHWCDJBFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c14-13(15,16)9-19-6-3-11(18-17)10-2-7-20-12(8-10)4-1-5-12/h10-11,18H,1-9,17H2.
What are the key properties of [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 296.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).