2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine

C16H22F2N2O — CID 91548352

IUPAC2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine
SMILESC=C(F)c1ccc(N2CCCC2COC(C)(C)C)nc1F
InChIInChI=1S/C16H22F2N2O/c1-11(17)13-7-8-14(19-15(13)18)20-9-5-6-12(20)10-21-16(2,3)4/h7-8,12H,1,5-6,9-10H2,2-4H3
InChIKeyMZLJSFQXKMESLL-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.94
Rot. Bonds4

About 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine

2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine (PubChem CID 91548352) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine
PubChem CID91548352
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine
SMILESC=C(F)c1ccc(N2CCCC2COC(C)(C)C)nc1F
InChIInChI=1S/C16H22F2N2O/c1-11(17)13-7-8-14(19-15(13)18)20-9-5-6-12(20)10-21-16(2,3)4/h7-8,12H,1,5-6,9-10H2,2-4H3
InChIKeyMZLJSFQXKMESLL-UHFFFAOYSA-N
XLogP3.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine (CID 91548352) is 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine is C=C(F)c1ccc(N2CCCC2COC(C)(C)C)nc1F.
What is the InChIKey of 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine?
The InChIKey is MZLJSFQXKMESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(17)13-7-8-14(19-15(13)18)20-9-5-6-12(20)10-21-16(2,3)4/h7-8,12H,1,5-6,9-10H2,2-4H3.
What are the key properties of 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine?
2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine has a molecular weight of 296.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-fluoroethenyl)-6-[2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 91548352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).