4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole

C12H16F3N3O2 — CID 142539983

IUPAC4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole
SMILESFC(F)(F)OC1CC(n2cc(C3CCCCO3)nn2)C1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)20-9-5-8(6-9)18-7-10(16-17-18)11-3-1-2-4-19-11/h7-9,11H,1-6H2
InChIKeyRFTBYSVNYSXJGH-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.76
Rot. Bonds3

About 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole

4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole (PubChem CID 142539983) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole.

Molecular Properties

Compound Name4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole
PubChem CID142539983
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole
SMILESFC(F)(F)OC1CC(n2cc(C3CCCCO3)nn2)C1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)20-9-5-8(6-9)18-7-10(16-17-18)11-3-1-2-4-19-11/h7-9,11H,1-6H2
InChIKeyRFTBYSVNYSXJGH-UHFFFAOYSA-N
XLogP2.76
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole?
The IUPAC name of 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole (CID 142539983) is 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole.
What is the SMILES notation for 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole?
The canonical SMILES for 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole is FC(F)(F)OC1CC(n2cc(C3CCCCO3)nn2)C1.
What is the InChIKey of 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole?
The InChIKey is RFTBYSVNYSXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)20-9-5-8(6-9)18-7-10(16-17-18)11-3-1-2-4-19-11/h7-9,11H,1-6H2.
What are the key properties of 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole?
4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole has a molecular weight of 291.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-1-[3-(trifluoromethoxy)cyclobutyl]triazole is sourced from PubChem (CID 142539983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).