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

C8H10F3N3O — CID 103213656

IUPAC4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESFC(F)(F)COCc1nncn1C1CC1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)4-15-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2
InChIKeyKIYJIYOIIHMIAH-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.69
Rot. Bonds4

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

4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (PubChem CID 103213656) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
PubChem CID103213656
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
SMILESFC(F)(F)COCc1nncn1C1CC1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)4-15-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2
InChIKeyKIYJIYOIIHMIAH-UHFFFAOYSA-N
XLogP1.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole 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

Ethane;5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 157031096
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
1-[(2S)-3-methoxybutan-2-yl]-3-(trifluoromethyl)-1,2,4-triazole
CID 173929904
[1-(2,2-Difluorocyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 177777189
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62117713
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 65649553
N-[[2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 65803525
[4-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 81665228
[4-(3,3,3-Trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81666571
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 81671729
[4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 103213633

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole (CID 103213656) is 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is FC(F)(F)COCc1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
The InChIKey is KIYJIYOIIHMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)4-15-3-7-13-12-5-14(7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole?
4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole has a molecular weight of 221.18 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 103213656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).