6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine

C10H11F2NO2 — CID 167053349

IUPAC6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine
SMILESCC(C)(C)c1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-9(2,3)8-4-6-7(5-13-8)15-10(11,12)14-6/h4-5H,1-3H3
InChIKeyJGEXIIXXAXLRIE-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.70
Rot. Bonds

About 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine

6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine (PubChem CID 167053349) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine
PubChem CID167053349
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine
SMILESCC(C)(C)c1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C10H11F2NO2/c1-9(2,3)8-4-6-7(5-13-8)15-10(11,12)14-6/h4-5H,1-3H3
InChIKeyJGEXIIXXAXLRIE-UHFFFAOYSA-N
XLogP2.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
CID 168908427
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
2-tert-butyl-5-fluoropyridin-4-amine
CID 155709241
7-tert-butyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 155612954
3,3-difluoro-7-methyl-2H-[1,4]dioxino[2,3-c]pyridine
CID 163779375
2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
CID 121384489
6-tert-butyl-[1,2]oxazolo[4,5-c]pyridine
CID 155612987
4-bromo-2-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylbutan-2-yl]pyridine
CID 170431493
7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 145255303
4-bromo-2-tert-butyl-5-methylpyridine
CID 162468681
6-tert-butylthiadiazolo[5,4-c]pyridine
CID 90328704
2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
CID 22500053

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine (CID 167053349) is 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine is CC(C)(C)c1cc2c(cn1)OC(F)(F)O2.
What is the InChIKey of 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is JGEXIIXXAXLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-9(2,3)8-4-6-7(5-13-8)15-10(11,12)14-6/h4-5H,1-3H3.
What are the key properties of 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine?
6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 215.20 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 167053349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).