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

C7H7ClF3N3 — CID 63384933

IUPAC3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1c(Cl)nnc1C1CC1
InChIInChI=1S/C7H7ClF3N3/c8-6-13-12-5(4-1-2-4)14(6)3-7(9,10)11/h4H,1-3H2
InChIKeyLIFQPATXLZPPSU-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.37
Rot. Bonds2

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

3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 63384933) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID63384933
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1c(Cl)nnc1C1CC1
InChIInChI=1S/C7H7ClF3N3/c8-6-13-12-5(4-1-2-4)14(6)3-7(9,10)11/h4H,1-3H2
InChIKeyLIFQPATXLZPPSU-UHFFFAOYSA-N
XLogP2.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 63384933) is 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is FC(F)(F)Cn1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is LIFQPATXLZPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c8-6-13-12-5(4-1-2-4)14(6)3-7(9,10)11/h4H,1-3H2.
What are the key properties of 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 225.60 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 63384933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).