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

C6H7ClF3N3 — CID 63384886

IUPAC3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CC(F)(F)F
InChIInChI=1S/C6H7ClF3N3/c1-2-4-11-12-5(7)13(4)3-6(8,9)10/h2-3H2,1H3
InChIKeySNKSULHEUVLUII-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.06
Rot. Bonds2

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

3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 63384886) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID63384886
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCCc1nnc(Cl)n1CC(F)(F)F
InChIInChI=1S/C6H7ClF3N3/c1-2-4-11-12-5(7)13(4)3-6(8,9)10/h2-3H2,1H3
InChIKeySNKSULHEUVLUII-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 63384886) is 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is CCc1nnc(Cl)n1CC(F)(F)F.
What is the InChIKey of 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is SNKSULHEUVLUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3/c1-2-4-11-12-5(7)13(4)3-6(8,9)10/h2-3H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-chloro-5-ethyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 213.59 g/mol, XLogP of 2.06, 2 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-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 63384886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).