2-azido-3-(trifluoromethyl)oxane

C6H8F3N3O — CID 102361501

IUPAC2-azido-3-(trifluoromethyl)oxane
SMILES[N-]=[N+]=NC1OCCCC1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-2-1-3-13-5(4)11-12-10/h4-5H,1-3H2
InChIKeyFOYVPBDHTZCMSH-UHFFFAOYSA-N
MW195.14 g/mol
LogP2.61
Rot. Bonds1

About 2-azido-3-(trifluoromethyl)oxane

2-azido-3-(trifluoromethyl)oxane (PubChem CID 102361501) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-azido-3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-azido-3-(trifluoromethyl)oxane
PubChem CID102361501
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-azido-3-(trifluoromethyl)oxane
SMILES[N-]=[N+]=NC1OCCCC1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-2-1-3-13-5(4)11-12-10/h4-5H,1-3H2
InChIKeyFOYVPBDHTZCMSH-UHFFFAOYSA-N
XLogP2.61
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(trifluoromethyl)oxane?
The IUPAC name of 2-azido-3-(trifluoromethyl)oxane (CID 102361501) is 2-azido-3-(trifluoromethyl)oxane.
What is the SMILES notation for 2-azido-3-(trifluoromethyl)oxane?
The canonical SMILES for 2-azido-3-(trifluoromethyl)oxane is [N-]=[N+]=NC1OCCCC1C(F)(F)F.
What is the InChIKey of 2-azido-3-(trifluoromethyl)oxane?
The InChIKey is FOYVPBDHTZCMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)4-2-1-3-13-5(4)11-12-10/h4-5H,1-3H2.
What are the key properties of 2-azido-3-(trifluoromethyl)oxane?
2-azido-3-(trifluoromethyl)oxane has a molecular weight of 195.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(trifluoromethyl)oxane is sourced from PubChem (CID 102361501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).