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

C19H20FNO3 — CID 129352286

IUPAC1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1
InChIKeyNFJMSFZJVLGDSS-ZWKOTPCHSA-N
MW329.37 g/mol
LogP2.68
Rot. Bonds5

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

1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 129352286) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
PubChem CID129352286
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1
InChIKeyNFJMSFZJVLGDSS-ZWKOTPCHSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone (CID 129352286) is 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is NFJMSFZJVLGDSS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-6-15(7-9-16)18-10-17(22)11-21(18)19(23)13-24-12-14-4-2-1-3-5-14/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone?
1-[(2R,4S)-2-(4-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,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 129352286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).