5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole

C16H20F2N2O3 — CID 123683953

IUPAC5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole
SMILESCCc1nn(CCC2OCCCO2)c2ccc(OC(F)F)cc12
InChIInChI=1S/C16H20F2N2O3/c1-2-13-12-10-11(23-16(17)18)4-5-14(12)20(19-13)7-6-15-21-8-3-9-22-15/h4-5,10,15-16H,2-3,6-9H2,1H3
InChIKeyOALYNHMGLQPPQJ-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.35
Rot. Bonds6

About 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole

5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole (PubChem CID 123683953) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole
PubChem CID123683953
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole
SMILESCCc1nn(CCC2OCCCO2)c2ccc(OC(F)F)cc12
InChIInChI=1S/C16H20F2N2O3/c1-2-13-12-10-11(23-16(17)18)4-5-14(12)20(19-13)7-6-15-21-8-3-9-22-15/h4-5,10,15-16H,2-3,6-9H2,1H3
InChIKeyOALYNHMGLQPPQJ-UHFFFAOYSA-N
XLogP3.35
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole?
The IUPAC name of 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole (CID 123683953) is 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole?
The canonical SMILES for 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole is CCc1nn(CCC2OCCCO2)c2ccc(OC(F)F)cc12.
What is the InChIKey of 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole?
The InChIKey is OALYNHMGLQPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-2-13-12-10-11(23-16(17)18)4-5-14(12)20(19-13)7-6-15-21-8-3-9-22-15/h4-5,10,15-16H,2-3,6-9H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole?
5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole has a molecular weight of 326.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-[2-(1,3-dioxan-2-yl)ethyl]-3-ethylindazole is sourced from PubChem (CID 123683953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).