[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine

C11H19F3N2O — CID 105221592

IUPAC[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-9(16-15)8-6-7-3-4-10(8)17-7/h7-10,16H,1-6,15H2
InChIKeyXQVBOAHSLFLDLA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.12
Rot. Bonds5

About [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine

[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (PubChem CID 105221592) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
PubChem CID105221592
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-9(16-15)8-6-7-3-4-10(8)17-7/h7-10,16H,1-6,15H2
InChIKeyXQVBOAHSLFLDLA-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.12
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

4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 64565379
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-2,2,2-trifluoroethan-1-amine
CID 66466798
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539
[1-Cyclohexyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103151861
[1,1,1-Trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-yl]hydrazine
CID 103312833
[4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
CID 105221488
[5,5,5-Trifluoro-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229353
[Oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105306593
[(4,4-Difluorocyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306598
[Oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105306615
[Oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105306653
[4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butyl]hydrazine
CID 105313962

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (CID 105221592) is [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is NNC(CCCC(F)(F)F)C1CC2CCC1O2.
What is the InChIKey of [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The InChIKey is XQVBOAHSLFLDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-9(16-15)8-6-7-3-4-10(8)17-7/h7-10,16H,1-6,15H2.
What are the key properties of [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine has a molecular weight of 252.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is sourced from PubChem (CID 105221592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).