[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine

C9H14F6N2O — CID 103312803

IUPAC[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(C1CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2O/c10-8(11,12)7(9(13,14)15)6(17-16)5-1-3-18-4-2-5/h5-7,17H,1-4,16H2
InChIKeyUJTQDSPBXHVYIL-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.99
Rot. Bonds3

About [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine

[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312803) has the molecular formula C9H14F6N2O and a molecular weight of 280.21 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312803
Molecular FormulaC9H14F6N2O
Molecular Weight280.21 g/mol
Exact Mass280.10
IUPAC Name[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(C1CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2O/c10-8(11,12)7(9(13,14)15)6(17-16)5-1-3-18-4-2-5/h5-7,17H,1-4,16H2
InChIKeyUJTQDSPBXHVYIL-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.99
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-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine (CID 103312803) is [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine is NNC(C1CCOCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is UJTQDSPBXHVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N2O/c10-8(11,12)7(9(13,14)15)6(17-16)5-1-3-18-4-2-5/h5-7,17H,1-4,16H2.
What are the key properties of [3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine?
[3,3,3-trifluoro-1-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 280.21 g/mol, XLogP of 1.99, 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-(oxan-4-yl)-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).