3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

C6H7F4N3 — CID 67234464

IUPAC3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCn1c(CCF)nnc1C(F)(F)F
InChIInChI=1S/C6H7F4N3/c1-13-4(2-3-7)11-12-5(13)6(8,9)10/h2-3H2,1H3
InChIKeySISBZTCUUANPLZ-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.35
Rot. Bonds2

About 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 67234464) has the molecular formula C6H7F4N3 and a molecular weight of 197.13 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID67234464
Molecular FormulaC6H7F4N3
Molecular Weight197.13 g/mol
Exact Mass197.06
IUPAC Name3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESCn1c(CCF)nnc1C(F)(F)F
InChIInChI=1S/C6H7F4N3/c1-13-4(2-3-7)11-12-5(13)6(8,9)10/h2-3H2,1H3
InChIKeySISBZTCUUANPLZ-UHFFFAOYSA-N
XLogP1.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole (CID 67234464) is 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole is Cn1c(CCF)nnc1C(F)(F)F.
What is the InChIKey of 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is SISBZTCUUANPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3/c1-13-4(2-3-7)11-12-5(13)6(8,9)10/h2-3H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole?
3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 197.13 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 67234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).