7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C10H11F2NO2 — CID 145255303

IUPAC7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCCC(F)(F)c1cc2c(cn1)OCCO2
InChIInChI=1S/C10H11F2NO2/c1-2-10(11,12)9-5-7-8(6-13-9)15-4-3-14-7/h5-6H,2-4H2,1H3
InChIKeyVCNYSPSJWJMRHH-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.35
Rot. Bonds2

About 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 145255303) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID145255303
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESCCC(F)(F)c1cc2c(cn1)OCCO2
InChIInChI=1S/C10H11F2NO2/c1-2-10(11,12)9-5-7-8(6-13-9)15-4-3-14-7/h5-6H,2-4H2,1H3
InChIKeyVCNYSPSJWJMRHH-UHFFFAOYSA-N
XLogP2.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 145255303) is 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is CCC(F)(F)c1cc2c(cn1)OCCO2.
What is the InChIKey of 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is VCNYSPSJWJMRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-10(11,12)9-5-7-8(6-13-9)15-4-3-14-7/h5-6H,2-4H2,1H3.
What are the key properties of 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 215.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoropropyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 145255303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).