4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole

C10H16F3N3O3 — CID 66214153

IUPAC4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N3O3/c1-3-17-9(18-4-2)8-7-16(15-14-8)5-6-19-10(11,12)13/h7,9H,3-6H2,1-2H3
InChIKeyYVJQYXHEFIDKLM-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.89
Rot. Bonds8

About 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole

4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole (PubChem CID 66214153) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole
PubChem CID66214153
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole
SMILESCCOC(OCC)c1cn(CCOC(F)(F)F)nn1
InChIInChI=1S/C10H16F3N3O3/c1-3-17-9(18-4-2)8-7-16(15-14-8)5-6-19-10(11,12)13/h7,9H,3-6H2,1-2H3
InChIKeyYVJQYXHEFIDKLM-UHFFFAOYSA-N
XLogP1.89
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 50988017
4-(Diethoxymethyl)-1-prop-2-enyltriazole
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4-(Ethoxymethyl)-1-ethyltriazole
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4-(Diethoxymethyl)-1-(2-fluoroethyl)triazole
CID 80697912
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-(2-Fluoroethyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
CID 89547540
1-(2-Fluoroethyl)-4-(methoxymethyl)triazole
CID 89548654
4-(Ethoxymethyl)-1-(2-fluoroethyl)triazole
CID 89548703
1-(2-Fluoroethyl)-4-(propan-2-yloxymethyl)triazole
CID 164101150
1-Ethyl-4-(2-fluoroethoxymethyl)triazole
CID 171649238
4-(2-Fluoroethoxymethyl)-1-propan-2-yltriazole
CID 171649241
4-(3-Fluoropropoxymethyl)-1-propan-2-yltriazole
CID 171649243

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole?
The IUPAC name of 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole (CID 66214153) is 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole.
What is the SMILES notation for 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole?
The canonical SMILES for 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole is CCOC(OCC)c1cn(CCOC(F)(F)F)nn1.
What is the InChIKey of 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole?
The InChIKey is YVJQYXHEFIDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-3-17-9(18-4-2)8-7-16(15-14-8)5-6-19-10(11,12)13/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole?
4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole has a molecular weight of 283.25 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-[2-(trifluoromethoxy)ethyl]triazole is sourced from PubChem (CID 66214153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).