2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine

C14H13F5N4O — CID 154845951

IUPAC2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine
SMILESFC1(F)CCC(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)OC1
InChIInChI=1S/C14H13F5N4O/c15-13(16)5-4-9(24-8-13)6-23-7-11(21-22-23)10-2-1-3-12(20-10)14(17,18)19/h1-3,7,9H,4-6,8H2
InChIKeyAWRNUHORTVJLAD-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.17
Rot. Bonds3

About 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine

2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine (PubChem CID 154845951) has the molecular formula C14H13F5N4O and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine
PubChem CID154845951
Molecular FormulaC14H13F5N4O
Molecular Weight348.28 g/mol
Exact Mass348.10
IUPAC Name2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine
SMILESFC1(F)CCC(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)OC1
InChIInChI=1S/C14H13F5N4O/c15-13(16)5-4-9(24-8-13)6-23-7-11(21-22-23)10-2-1-3-12(20-10)14(17,18)19/h1-3,7,9H,4-6,8H2
InChIKeyAWRNUHORTVJLAD-UHFFFAOYSA-N
XLogP3.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine (CID 154845951) is 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine is FC1(F)CCC(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)OC1.
What is the InChIKey of 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is AWRNUHORTVJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N4O/c15-13(16)5-4-9(24-8-13)6-23-7-11(21-22-23)10-2-1-3-12(20-10)14(17,18)19/h1-3,7,9H,4-6,8H2.
What are the key properties of 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine?
2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 348.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,5-difluorooxan-2-yl)methyl]triazol-4-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 154845951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).