[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine

C9H17F3N2O — CID 105205905

IUPAC[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine
SMILESNNC(CC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-8(14-13)5-7-1-3-15-4-2-7/h7-8,14H,1-6,13H2
InChIKeyISKJVXGNNDCANG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.59
Rot. Bonds4

About [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine

[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine (PubChem CID 105205905) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine
PubChem CID105205905
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine
SMILESNNC(CC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-8(14-13)5-7-1-3-15-4-2-7/h7-8,14H,1-6,13H2
InChIKeyISKJVXGNNDCANG-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.59
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-(oxan-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine (CID 105205905) is [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine is NNC(CC1CCOCC1)CC(F)(F)F.
What is the InChIKey of [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine?
The InChIKey is ISKJVXGNNDCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)6-8(14-13)5-7-1-3-15-4-2-7/h7-8,14H,1-6,13H2.
What are the key properties of [4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine?
[4,4,4-trifluoro-1-(oxan-4-yl)butan-2-yl]hydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.59, 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-(oxan-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105205905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).