[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine

C12H21F3N2O — CID 105249111

IUPAC[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)6-2-10(17-16)9-3-7-18-11(8-9)4-1-5-11/h9-10,17H,1-8,16H2
InChIKeyKCZCKHHMVIDNDR-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.51
Rot. Bonds4

About [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine (PubChem CID 105249111) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
PubChem CID105249111
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)6-2-10(17-16)9-3-7-18-11(8-9)4-1-5-11/h9-10,17H,1-8,16H2
InChIKeyKCZCKHHMVIDNDR-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.51
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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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-[2-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026395
[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-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151509
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine (CID 105249111) is [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine is NNC(CCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine?
The InChIKey is KCZCKHHMVIDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)6-2-10(17-16)9-3-7-18-11(8-9)4-1-5-11/h9-10,17H,1-8,16H2.
What are the key properties of [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine has a molecular weight of 266.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butyl]hydrazine is sourced from PubChem (CID 105249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).