3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole

C8H11ClF3N3 — CID 115522348

IUPAC3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CCCC(F)(F)F
InChIInChI=1S/C8H11ClF3N3/c1-2-6-13-14-7(9)15(6)5-3-4-8(10,11)12/h2-5H2,1H3
InChIKeyMEDFPMUXOZIYQP-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.84
Rot. Bonds4

About 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole

3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole (PubChem CID 115522348) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole
PubChem CID115522348
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CCCC(F)(F)F
InChIInChI=1S/C8H11ClF3N3/c1-2-6-13-14-7(9)15(6)5-3-4-8(10,11)12/h2-5H2,1H3
InChIKeyMEDFPMUXOZIYQP-UHFFFAOYSA-N
XLogP2.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-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

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 12117503
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539572
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
CID 59585176
3,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59887060
3-(3-Fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole (CID 115522348) is 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole is CCc1nnc(Cl)n1CCCC(F)(F)F.
What is the InChIKey of 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole?
The InChIKey is MEDFPMUXOZIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-2-6-13-14-7(9)15(6)5-3-4-8(10,11)12/h2-5H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole has a molecular weight of 241.64 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole is sourced from PubChem (CID 115522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).