3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine

C10H11F2NO2 — CID 160592543

IUPAC3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cc2c(cn1)OC(F)(F)CO2
InChIInChI=1S/C10H11F2NO2/c1-6(2)7-3-8-9(4-13-7)15-10(11,12)5-14-8/h3-4,6H,5H2,1-2H3
InChIKeyNAGGSEHPNJXYKC-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.57
Rot. Bonds1

About 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine

3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine (PubChem CID 160592543) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine
PubChem CID160592543
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCC(C)c1cc2c(cn1)OC(F)(F)CO2
InChIInChI=1S/C10H11F2NO2/c1-6(2)7-3-8-9(4-13-7)15-10(11,12)5-14-8/h3-4,6H,5H2,1-2H3
InChIKeyNAGGSEHPNJXYKC-UHFFFAOYSA-N
XLogP2.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine (CID 160592543) is 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine is CC(C)c1cc2c(cn1)OC(F)(F)CO2.
What is the InChIKey of 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is NAGGSEHPNJXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(2)7-3-8-9(4-13-7)15-10(11,12)5-14-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine?
3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 215.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-propan-2-yl-2H-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 160592543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).