[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone

C15H20F2N2O2 — CID 168793574

IUPAC[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(C(=O)N2CCCC2)c(OCC(F)F)n1
InChIInChI=1S/C15H20F2N2O2/c1-10(2)12-6-5-11(14(18-12)21-9-13(16)17)15(20)19-7-3-4-8-19/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyQTISYKJLSVRKTD-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.08
Rot. Bonds5

About [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 168793574) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID168793574
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(C(=O)N2CCCC2)c(OCC(F)F)n1
InChIInChI=1S/C15H20F2N2O2/c1-10(2)12-6-5-11(14(18-12)21-9-13(16)17)15(20)19-7-3-4-8-19/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyQTISYKJLSVRKTD-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 168793574) is [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone is CC(C)c1ccc(C(=O)N2CCCC2)c(OCC(F)F)n1.
What is the InChIKey of [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QTISYKJLSVRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(2)12-6-5-11(14(18-12)21-9-13(16)17)15(20)19-7-3-4-8-19/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 298.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethoxy)-6-propan-2-yl-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 168793574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).