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

C11H17F2N3O — CID 103208747

IUPAC3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
SMILESFC(F)COCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H17F2N3O/c12-9(13)7-17-6-5-10-14-11(16-15-10)8-3-1-2-4-8/h8-9H,1-7H2,(H,14,15,16)
InChIKeyUGHHLSPOKDINLJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.29
Rot. Bonds6

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

3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole (PubChem CID 103208747) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
PubChem CID103208747
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole
SMILESFC(F)COCCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H17F2N3O/c12-9(13)7-17-6-5-10-14-11(16-15-10)8-3-1-2-4-8/h8-9H,1-7H2,(H,14,15,16)
InChIKeyUGHHLSPOKDINLJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.29
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-difluoroethoxy)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole (CID 103208747) is 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole is FC(F)COCCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole?
The InChIKey is UGHHLSPOKDINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-9(13)7-17-6-5-10-14-11(16-15-10)8-3-1-2-4-8/h8-9H,1-7H2,(H,14,15,16).
What are the key properties of 3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole?
3-cyclopentyl-5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole has a molecular weight of 245.27 g/mol, XLogP of 2.29, 6 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-difluoroethoxy)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 103208747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).