5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole

C7H8F3N3O — CID 167986171

IUPAC5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-11-5(12-13-6)4-1-2-14-3-4/h4H,1-3H2,(H,11,12,13)
InChIKeyBLXZJNHBWJSFGN-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.33
Rot. Bonds1

About 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole

5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 167986171) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID167986171
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-11-5(12-13-6)4-1-2-14-3-4/h4H,1-3H2,(H,11,12,13)
InChIKeyBLXZJNHBWJSFGN-UHFFFAOYSA-N
XLogP1.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65329448
3-(difluoromethoxy)-5-propan-2-yl-1H-1,2,4-triazole
CID 167443426
3-(2,2-difluoroethoxy)-5-propan-2-yl-1H-1,2,4-triazole
CID 176683160
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 103150848
3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103151176
3-chloro-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103151177
5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine
CID 103206950
5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-3-amine
CID 103206952
5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208731
3-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-1,2,4-triazole
CID 103208733
3-ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208734
5-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1H-1,2,4-triazole
CID 103208736

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 167986171) is 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1n[nH]c(C2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is BLXZJNHBWJSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)6-11-5(12-13-6)4-1-2-14-3-4/h4H,1-3H2,(H,11,12,13).
What are the key properties of 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole?
5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 207.15 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 167986171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).