4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole

C8H12F3N3O2 — CID 103213651

IUPAC4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-15-3-2-14-6-12-13-7(14)4-16-5-8(9,10)11/h6H,2-5H2,1H3
InChIKeyBETABRZMPNHERD-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.00
Rot. Bonds6

About 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (PubChem CID 103213651) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
PubChem CID103213651
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c1-15-3-2-14-6-12-13-7(14)4-16-5-8(9,10)11/h6H,2-5H2,1H3
InChIKeyBETABRZMPNHERD-UHFFFAOYSA-N
XLogP1.00
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Diethoxymethyl)-4-methyl-4H-1,2,4-triazole
CID 20577141
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
Ethane;5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 157031096
5-Methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 157031097
Ethyl 2-[3-(difluoromethyl)-1,2,4-triazol-4-yl]acetate
CID 165140185
5-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 166500038
1-[2-(Difluoromethoxy)ethyl]-5-propan-2-yl-1,2,4-triazole
CID 166500553
1-[(2,2-Difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole
CID 166825437
5-Ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 170028031
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55201137
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62118452

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (CID 103213651) is 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is COCCn1cnnc1COCC(F)(F)F.
What is the InChIKey of 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The InChIKey is BETABRZMPNHERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-15-3-2-14-6-12-13-7(14)4-16-5-8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole has a molecular weight of 239.20 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 103213651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).