[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

C8H12F3N3O2 — CID 103213639

IUPAC[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-2-14-6(3-15)12-13-7(14)4-16-5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyFCRMAGKIAPUUOH-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.87
Rot. Bonds5

About [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol

[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103213639) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID103213639
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-2-14-6(3-15)12-13-7(14)4-16-5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyFCRMAGKIAPUUOH-UHFFFAOYSA-N
XLogP0.87
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}methanol
CID 91647478
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 97619252
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
(5-(Difluoromethyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 121597947
[5-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
[5-(Difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]methanol
CID 156298868
(4-(2-((tert-Butyldimethylsilyl)oxy)ethyl)-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 168206378

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol (CID 103213639) is [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1COCC(F)(F)F.
What is the InChIKey of [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is FCRMAGKIAPUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-2-14-6(3-15)12-13-7(14)4-16-5-8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.20 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103213639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).