5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C10H10F3N3O2 — CID 131898831

IUPAC5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOCc1nc(-c2ccoc2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c1-17-5-8-14-9(7-2-3-18-4-7)16(15-8)6-10(11,12)13/h2-4H,5-6H2,1H3
InChIKeyOOWLFABBBCIPDZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.25
Rot. Bonds4

About 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 131898831) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID131898831
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCOCc1nc(-c2ccoc2)n(CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c1-17-5-8-14-9(7-2-3-18-4-7)16(15-8)6-10(11,12)13/h2-4H,5-6H2,1H3
InChIKeyOOWLFABBBCIPDZ-UHFFFAOYSA-N
XLogP2.25
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 131898831) is 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is COCc1nc(-c2ccoc2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is OOWLFABBBCIPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-17-5-8-14-9(7-2-3-18-4-7)16(15-8)6-10(11,12)13/h2-4H,5-6H2,1H3.
What are the key properties of 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 261.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 131898831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).