2-(azidomethyl)-5-(trifluoromethyl)oxolane

C6H8F3N3O — CID 165447566

IUPAC2-(azidomethyl)-5-(trifluoromethyl)oxolane
SMILES[N-]=[N+]=NCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-2-1-4(13-5)3-11-12-10/h4-5H,1-3H2
InChIKeyRUIKRCZNSJOPDU-UHFFFAOYSA-N
MW195.14 g/mol
LogP2.41
Rot. Bonds2

About 2-(azidomethyl)-5-(trifluoromethyl)oxolane

2-(azidomethyl)-5-(trifluoromethyl)oxolane (PubChem CID 165447566) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-(azidomethyl)-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-(azidomethyl)-5-(trifluoromethyl)oxolane
PubChem CID165447566
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-(azidomethyl)-5-(trifluoromethyl)oxolane
SMILES[N-]=[N+]=NCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-2-1-4(13-5)3-11-12-10/h4-5H,1-3H2
InChIKeyRUIKRCZNSJOPDU-UHFFFAOYSA-N
XLogP2.41
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 52.41
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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Related Compounds

trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane
CID 150559937
(2S)-2-(azidomethyl)-4,4-difluorooxane
CID 167267086
2-(Azidomethyl)tetrahydrofuran
CID 15267594
(2R,4S)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456422
(2R,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456425
(2S,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456426
(2S,4S)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456427
2-(Azidomethyl)-4,4-difluorooxolane
CID 137951617
2-(Azidomethyl)-4-(trifluoromethyl)oxolane
CID 165438178
2,5-Bis(azidomethyl)tetrahydrofuran
CID 86718831
(2R)-2-(azidomethyl)oxolane
CID 124398127
(2S)-2-(azidomethyl)oxolane
CID 124398128

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-(trifluoromethyl)oxolane?
The IUPAC name of 2-(azidomethyl)-5-(trifluoromethyl)oxolane (CID 165447566) is 2-(azidomethyl)-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-(azidomethyl)-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2-(azidomethyl)-5-(trifluoromethyl)oxolane is [N-]=[N+]=NCC1CCC(C(F)(F)F)O1.
What is the InChIKey of 2-(azidomethyl)-5-(trifluoromethyl)oxolane?
The InChIKey is RUIKRCZNSJOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)5-2-1-4(13-5)3-11-12-10/h4-5H,1-3H2.
What are the key properties of 2-(azidomethyl)-5-(trifluoromethyl)oxolane?
2-(azidomethyl)-5-(trifluoromethyl)oxolane has a molecular weight of 195.14 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 165447566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).