3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole

C11H16F3N3O — CID 103208746

IUPAC3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
SMILESFC(F)(F)COCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-18-6-5-9-15-10(17-16-9)8-3-1-2-4-8/h8H,1-7H2,(H,15,16,17)
InChIKeyBEMLPAJSATZFCB-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.58
Rot. Bonds5

About 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole

3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole (PubChem CID 103208746) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
PubChem CID103208746
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
SMILESFC(F)(F)COCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-18-6-5-9-15-10(17-16-9)8-3-1-2-4-8/h8H,1-7H2,(H,15,16,17)
InChIKeyBEMLPAJSATZFCB-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole (CID 103208746) is 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole is FC(F)(F)COCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole?
The InChIKey is BEMLPAJSATZFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)7-18-6-5-9-15-10(17-16-9)8-3-1-2-4-8/h8H,1-7H2,(H,15,16,17).
What are the key properties of 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole?
3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole has a molecular weight of 263.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 103208746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).