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

C12H18F6N2O — CID 103312862

IUPAC[3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O/c13-11(14,15)9(12(16,17)18)8(20-19)7-2-5-21-10(6-7)3-1-4-10/h7-9,20H,1-6,19H2
InChIKeyBVLSXBSCVAXLLA-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.91
Rot. Bonds3

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

[3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312862) has the molecular formula C12H18F6N2O and a molecular weight of 320.28 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312862
Molecular FormulaC12H18F6N2O
Molecular Weight320.28 g/mol
Exact Mass320.13
IUPAC Name[3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O/c13-11(14,15)9(12(16,17)18)8(20-19)7-2-5-21-10(6-7)3-1-4-10/h7-9,20H,1-6,19H2
InChIKeyBVLSXBSCVAXLLA-UHFFFAOYSA-N
XLogP2.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine (CID 103312862) is [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine is NNC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is BVLSXBSCVAXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O/c13-11(14,15)9(12(16,17)18)8(20-19)7-2-5-21-10(6-7)3-1-4-10/h7-9,20H,1-6,19H2.
What are the key properties of [3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine?
[3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 320.28 g/mol, XLogP of 2.91, 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-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).