(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine

C26H28FNO — CID 86682909

IUPAC(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine
SMILESC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CC[C@@H](F)C1
InChIInChI=1S/C26H28FNO/c1-21(28-18-17-25(27)19-28)20-29-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3/t21-,25+/m0/s1
InChIKeyGABLGBSRJKBOHY-SQJMNOBHSA-N
MW389.51 g/mol
LogP5.43
Rot. Bonds7

About (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine

(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine (PubChem CID 86682909) has the molecular formula C26H28FNO and a molecular weight of 389.51 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine
PubChem CID86682909
Molecular FormulaC26H28FNO
Molecular Weight389.51 g/mol
Exact Mass389.22
IUPAC Name(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine
SMILESC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CC[C@@H](F)C1
InChIInChI=1S/C26H28FNO/c1-21(28-18-17-25(27)19-28)20-29-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3/t21-,25+/m0/s1
InChIKeyGABLGBSRJKBOHY-SQJMNOBHSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine (CID 86682909) is (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine is C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine?
The InChIKey is GABLGBSRJKBOHY-SQJMNOBHSA-N. The full InChI is InChI=1S/C26H28FNO/c1-21(28-18-17-25(27)19-28)20-29-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3/t21-,25+/m0/s1.
What are the key properties of (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine?
(3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine has a molecular weight of 389.51 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[(2S)-1-trityloxypropan-2-yl]pyrrolidine is sourced from PubChem (CID 86682909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).