(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine

C17H17F2NO — CID 71562589

IUPAC(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1
InChIKeyRSAGNBIVUSOUTP-BBRMVZONSA-N
MW289.32 g/mol
LogP3.69
Rot. Bonds4

About (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine

(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562589) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562589
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1
InChIKeyRSAGNBIVUSOUTP-BBRMVZONSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]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 (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine (CID 71562589) is (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine is Fc1cccc(F)c1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is RSAGNBIVUSOUTP-BBRMVZONSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1.
What are the key properties of (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine?
(3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 289.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(2,6-difluorophenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).