1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone

C19H20FNO3 — CID 100720687

IUPAC1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c20-16-8-4-7-15(9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-5-2-1-3-6-14/h1-9,17-18,22H,10-13H2/t17-,18-/m1/s1
InChIKeyDYUOMZRFZGSPCU-QZTJIDSGSA-N
MW329.37 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone

1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 100720687) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
PubChem CID100720687
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c20-16-8-4-7-15(9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-5-2-1-3-6-14/h1-9,17-18,22H,10-13H2/t17-,18-/m1/s1
InChIKeyDYUOMZRFZGSPCU-QZTJIDSGSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 129352286
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
2-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 100720676
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 100721362
3-(2-fluorophenoxy)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 128990222
2-(3-fluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481625
2-(3-fluorophenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481623
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 128972536
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-propylhexan-1-one
CID 129481580
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 100721553

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone (CID 100720687) is 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is DYUOMZRFZGSPCU-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-4-7-15(9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-5-2-1-3-6-14/h1-9,17-18,22H,10-13H2/t17-,18-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 329.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 100720687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).