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

C7H10F3N3O — CID 103213661

IUPAC4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESCCn1cnnc1COCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-13-5-11-12-6(13)3-14-4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyAEVXEQKBCMXJKJ-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.38
Rot. Bonds4

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

4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (PubChem CID 103213661) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
PubChem CID103213661
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESCCn1cnnc1COCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-13-5-11-12-6(13)3-14-4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyAEVXEQKBCMXJKJ-UHFFFAOYSA-N
XLogP1.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 18406934
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
5-(Trifluoromethoxy)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555501
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
(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 164920643
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (CID 103213661) is 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is CCn1cnnc1COCC(F)(F)F.
What is the InChIKey of 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The InChIKey is AEVXEQKBCMXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-13-5-11-12-6(13)3-14-4-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole has a molecular weight of 209.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 103213661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).