(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

C18H26FNO3 — CID 124740644

IUPAC(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H26FNO3/c19-15-5-1-4-14(10-15)18-7-2-8-20(18)11-16(21)12-22-13-17-6-3-9-23-17/h1,4-5,10,16-18,21H,2-3,6-9,11-13H2/t16-,17+,18-/m0/s1
InChIKeyUVFUTHHQAXNHRV-KSZLIROESA-N
MW323.41 g/mol
LogP2.52
Rot. Bonds7

About (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 124740644) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID124740644
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H26FNO3/c19-15-5-1-4-14(10-15)18-7-2-8-20(18)11-16(21)12-22-13-17-6-3-9-23-17/h1,4-5,10,16-18,21H,2-3,6-9,11-13H2/t16-,17+,18-/m0/s1
InChIKeyUVFUTHHQAXNHRV-KSZLIROESA-N
XLogP2.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534
(2S)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-2-ol
CID 95292419
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
(2S)-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 52539359
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 47053396
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111336725
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 75386813
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (CID 124740644) is (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1cccc(F)c1.
What is the InChIKey of (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is UVFUTHHQAXNHRV-KSZLIROESA-N. The full InChI is InChI=1S/C18H26FNO3/c19-15-5-1-4-14(10-15)18-7-2-8-20(18)11-16(21)12-22-13-17-6-3-9-23-17/h1,4-5,10,16-18,21H,2-3,6-9,11-13H2/t16-,17+,18-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 323.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 124740644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).