7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H19F4N3O3 — CID 166727426

IUPAC7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1nc2c(cc1F)OCCO2)N1CC[C@@H](Oc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C19H19F4N3O3/c1-11(17-14(20)8-15-18(25-17)28-7-6-27-15)26-5-4-13(10-26)29-12-2-3-16(24-9-12)19(21,22)23/h2-3,8-9,11,13H,4-7,10H2,1H3/t11?,13-/m1/s1
InChIKeyIKFKRHXFCHODSK-GLGOKHISSA-N
MW413.37 g/mol
LogP3.62
Rot. Bonds4

About 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 166727426) has the molecular formula C19H19F4N3O3 and a molecular weight of 413.37 g/mol. Its IUPAC name is 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID166727426
Molecular FormulaC19H19F4N3O3
Molecular Weight413.37 g/mol
Exact Mass413.14
IUPAC Name7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1nc2c(cc1F)OCCO2)N1CC[C@@H](Oc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C19H19F4N3O3/c1-11(17-14(20)8-15-18(25-17)28-7-6-27-15)26-5-4-13(10-26)29-12-2-3-16(24-9-12)19(21,22)23/h2-3,8-9,11,13H,4-7,10H2,1H3/t11?,13-/m1/s1
InChIKeyIKFKRHXFCHODSK-GLGOKHISSA-N
XLogP3.62
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 166727426) is 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1nc2c(cc1F)OCCO2)N1CC[C@@H](Oc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is IKFKRHXFCHODSK-GLGOKHISSA-N. The full InChI is InChI=1S/C19H19F4N3O3/c1-11(17-14(20)8-15-18(25-17)28-7-6-27-15)26-5-4-13(10-26)29-12-2-3-16(24-9-12)19(21,22)23/h2-3,8-9,11,13H,4-7,10H2,1H3/t11?,13-/m1/s1.
What are the key properties of 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 413.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[(3R)-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 166727426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).