1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C18H25FN2O2 — CID 95325298

IUPAC1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-14(22)21-10-4-8-18(21)17-7-3-9-20(17)11-12-23-16-6-2-5-15(19)13-16/h2,5-6,13,17-18H,3-4,7-12H2,1H3/t17-,18-/m0/s1
InChIKeyLUAYGKYAXRMGCM-ROUUACIJSA-N
MW320.41 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95325298) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95325298
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-14(22)21-10-4-8-18(21)17-7-3-9-20(17)11-12-23-16-6-2-5-15(19)13-16/h2,5-6,13,17-18H,3-4,7-12H2,1H3/t17-,18-/m0/s1
InChIKeyLUAYGKYAXRMGCM-ROUUACIJSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[(2R)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325300
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CID 95346776
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307713
1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 56781703
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
1-[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 110136356
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95311251
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
1-[1-[2-(3-bromophenoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79547047
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
1-[(2S)-2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95325298) is 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc(F)c1.
What is the InChIKey of 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is LUAYGKYAXRMGCM-ROUUACIJSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14(22)21-10-4-8-18(21)17-7-3-9-20(17)11-12-23-16-6-2-5-15(19)13-16/h2,5-6,13,17-18H,3-4,7-12H2,1H3/t17-,18-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95325298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).