2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone

C19H20FNO2 — CID 164642263

IUPAC2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H20FNO2/c20-18-9-5-4-8-16(18)12-19(22)21-11-10-17(13-21)23-14-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyKZLDCRTXNFEQNH-KRWDZBQOSA-N
MW313.37 g/mol
LogP3.19
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone (PubChem CID 164642263) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
PubChem CID164642263
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H20FNO2/c20-18-9-5-4-8-16(18)12-19(22)21-11-10-17(13-21)23-14-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1
InChIKeyKZLDCRTXNFEQNH-KRWDZBQOSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone (CID 164642263) is 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CC[C@H](OCc2ccccc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
The InChIKey is KZLDCRTXNFEQNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-18-9-5-4-8-16(18)12-19(22)21-11-10-17(13-21)23-14-15-6-2-1-3-7-15/h1-9,17H,10-14H2/t17-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 164642263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).