ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate

C10H16FN3O2 — CID 81297782

IUPACethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1nc(CC)nc1CC
InChIInChI=1S/C10H16FN3O2/c1-4-7-12-8(5-2)14(13-7)9(11)10(15)16-6-3/h9H,4-6H2,1-3H3
InChIKeyUCHGGJYQNOAZGI-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate

ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate (PubChem CID 81297782) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate
PubChem CID81297782
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Nameethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1nc(CC)nc1CC
InChIInChI=1S/C10H16FN3O2/c1-4-7-12-8(5-2)14(13-7)9(11)10(15)16-6-3/h9H,4-6H2,1-3H3
InChIKeyUCHGGJYQNOAZGI-UHFFFAOYSA-N
XLogP1.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,5-dimethyl-1H-1,2,4-triazole-3-carboxylate
CID 63382088
ethyl 1,3-dimethyl-1H-1,2,4-triazole-5-carboxylate
CID 63356234
ethyl 5-cyclopropyl-1-methyl-1H-1,2,4-triazole-3-carboxylate
CID 63381651
ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate
CID 63382492
ethyl 3-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate
CID 122163763
ethyl 5-(2-hydroxypropan-2-yl)-1-methyl-1H-1,2,4-triazole-3-carboxylate
CID 63382294
1-Ethyl-3-(ethoxycarbonyl)methyl-5-methyl-1h-1,2,4-triazole
CID 85859134
1H-1,2,4-Triazole-5-carboxylic acid, 3-methyl-1-(1-methylethyl)-, ethyl ester
CID 58204754
{3-isopropyl-5-[(2,2,3,3-tetrafluoropropoxy)methyl]-1H-1,2,4-triazol-1-yl}acetic acid
CID 74241682
2-[3-(2-methoxyethyl)-5-[(1S)-1-methoxypropyl]-1,2,4-triazol-1-yl]acetic acid
CID 97852998
Ethyl 2-[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]acetate
CID 87299947
Ethyl 2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanoate
CID 89984339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate (CID 81297782) is ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1nc(CC)nc1CC.
What is the InChIKey of ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate?
The InChIKey is UCHGGJYQNOAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-4-7-12-8(5-2)14(13-7)9(11)10(15)16-6-3/h9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate?
ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate has a molecular weight of 229.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-diethyl-1,2,4-triazol-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).