(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol

C20H24FNO3 — CID 11810107

IUPAC(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CN1Cc1ccccc1
InChIInChI=1S/C20H24FNO3/c21-17-12-22(11-15-7-3-1-4-8-15)19(18(24)13-23)20(17)25-14-16-9-5-2-6-10-16/h1-10,17-20,23-24H,11-14H2/t17-,18+,19-,20+/m1/s1
InChIKeyZNTJCYAUNLMGGV-WCIQWLHISA-N
MW345.41 g/mol
LogP2.15
Rot. Bonds7

About (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol

(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol (PubChem CID 11810107) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol
PubChem CID11810107
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CN1Cc1ccccc1
InChIInChI=1S/C20H24FNO3/c21-17-12-22(11-15-7-3-1-4-8-15)19(18(24)13-23)20(17)25-14-16-9-5-2-6-10-16/h1-10,17-20,23-24H,11-14H2/t17-,18+,19-,20+/m1/s1
InChIKeyZNTJCYAUNLMGGV-WCIQWLHISA-N
XLogP2.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol with MolForge

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Related Compounds

[(3R,5S)-3,5-bis(4-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722711
[(3R,5R)-3,5-bis(4-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 44597741
(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol
CID 11416597
(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
CID 11485203
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
1-[Cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 4963132
(2R,3R,4S)-1-benzyl-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-3,4-diol
CID 44238158
(2R,3R,4S)-2-{[(R)-2-(3-Fluoro-benzyloxy)-1-phenyl-ethylamino]-methyl}-pyrrolidine-3,4-diol
CID 44398477
1-[Benzyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427650
(2R,3R,4R,5R)-2-[4-(methoxymethyl)phenyl]-1,5-dimethylpyrrolidine-3,4-diol
CID 155569187

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol (CID 11810107) is (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol is OC[C@H](O)[C@@H]1[C@@H](OCc2ccccc2)[C@H](F)CN1Cc1ccccc1.
What is the InChIKey of (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol?
The InChIKey is ZNTJCYAUNLMGGV-WCIQWLHISA-N. The full InChI is InChI=1S/C20H24FNO3/c21-17-12-22(11-15-7-3-1-4-8-15)19(18(24)13-23)20(17)25-14-16-9-5-2-6-10-16/h1-10,17-20,23-24H,11-14H2/t17-,18+,19-,20+/m1/s1.
What are the key properties of (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol?
(1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol has a molecular weight of 345.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3R,4R)-1-benzyl-4-fluoro-3-phenylmethoxypyrrolidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11810107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).