(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol

C24H22FNO2 — CID 169202313

IUPAC(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol
SMILESOC[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22FNO2/c25-23-21(15-27)26(14-22(23)28)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,27-28H,14-15H2/t21-,22+,23+/m0/s1
InChIKeyONEKOFWAASIRMZ-YTFSRNRJSA-N
MW375.44 g/mol
LogP3.33
Rot. Bonds3

About (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol

(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol (PubChem CID 169202313) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol
PubChem CID169202313
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol
SMILESOC[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22FNO2/c25-23-21(15-27)26(14-22(23)28)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,27-28H,14-15H2/t21-,22+,23+/m0/s1
InChIKeyONEKOFWAASIRMZ-YTFSRNRJSA-N
XLogP3.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol 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,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol (CID 169202313) is (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol is OC[C@H]1[C@@H](F)[C@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol?
The InChIKey is ONEKOFWAASIRMZ-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H22FNO2/c25-23-21(15-27)26(14-22(23)28)24(16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)24/h1-13,21-23,27-28H,14-15H2/t21-,22+,23+/m0/s1.
What are the key properties of (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol?
(3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol has a molecular weight of 375.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-fluoro-5-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol is sourced from PubChem (CID 169202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).