1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C17H17FN2O2 — CID 95846664

IUPAC1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1
InChIInChI=1S/C17H17FN2O2/c1-12(21)20-11-5-8-15(20)14-7-4-10-17(19-14)22-16-9-3-2-6-13(16)18/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m1/s1
InChIKeyGOTWEUMVEXSCJQ-OAHLLOKOSA-N
MW300.33 g/mol
LogP3.70
Rot. Bonds3

About 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95846664) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID95846664
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1
InChIInChI=1S/C17H17FN2O2/c1-12(21)20-11-5-8-15(20)14-7-4-10-17(19-14)22-16-9-3-2-6-13(16)18/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m1/s1
InChIKeyGOTWEUMVEXSCJQ-OAHLLOKOSA-N
XLogP3.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124991443
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816016
6-[(2R)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816015
1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 110270348
N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110270269
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
N-[[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 92638474

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95846664) is 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1.
What is the InChIKey of 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GOTWEUMVEXSCJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(21)20-11-5-8-15(20)14-7-4-10-17(19-14)22-16-9-3-2-6-13(16)18/h2-4,6-7,9-10,15H,5,8,11H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 300.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95846664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).