[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine

C10H17F3N2O — CID 105221488

IUPAC[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-3-8(15-14)7-5-6-1-2-9(7)16-6/h6-9,15H,1-5,14H2
InChIKeyWKWHVLUUPOGTHM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.73
Rot. Bonds4

About [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (PubChem CID 105221488) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
PubChem CID105221488
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-3-8(15-14)7-5-6-1-2-9(7)16-6/h6-9,15H,1-5,14H2
InChIKeyWKWHVLUUPOGTHM-UHFFFAOYSA-N
XLogP1.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.73
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 [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (CID 105221488) is [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is NNC(CCC(F)(F)F)C1CC2CCC1O2.
What is the InChIKey of [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The InChIKey is WKWHVLUUPOGTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)4-3-8(15-14)7-5-6-1-2-9(7)16-6/h6-9,15H,1-5,14H2.
What are the key properties of [4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine has a molecular weight of 238.25 g/mol, XLogP of 1.73, 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-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105221488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).