1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole

C7H9F4N3O — CID 91651234

IUPAC1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole
SMILESFC(F)C(F)(F)COCCn1ccnn1
InChIInChI=1S/C7H9F4N3O/c8-6(9)7(10,11)5-15-4-3-14-2-1-12-13-14/h1-2,6H,3-5H2
InChIKeyMPEORDLAXGZINU-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole

1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole (PubChem CID 91651234) has the molecular formula C7H9F4N3O and a molecular weight of 227.16 g/mol. Its IUPAC name is 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole
PubChem CID91651234
Molecular FormulaC7H9F4N3O
Molecular Weight227.16 g/mol
Exact Mass227.07
IUPAC Name1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole
SMILESFC(F)C(F)(F)COCCn1ccnn1
InChIInChI=1S/C7H9F4N3O/c8-6(9)7(10,11)5-15-4-3-14-2-1-12-13-14/h1-2,6H,3-5H2
InChIKeyMPEORDLAXGZINU-UHFFFAOYSA-N
XLogP1.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole?
The IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole (CID 91651234) is 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole is FC(F)C(F)(F)COCCn1ccnn1.
What is the InChIKey of 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole?
The InChIKey is MPEORDLAXGZINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O/c8-6(9)7(10,11)5-15-4-3-14-2-1-12-13-14/h1-2,6H,3-5H2.
What are the key properties of 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole?
1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole has a molecular weight of 227.16 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]triazole is sourced from PubChem (CID 91651234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).