3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine

C17H17F2NO — CID 46205372

IUPAC3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(F)c2F)cc1C1CCNC1
InChIInChI=1S/C17H17F2NO/c1-21-16-6-5-11(9-14(16)12-7-8-20-10-12)13-3-2-4-15(18)17(13)19/h2-6,9,12,20H,7-8,10H2,1H3
InChIKeyOXSXASOPOZMNQU-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.72
Rot. Bonds3

About 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine

3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine (PubChem CID 46205372) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine
PubChem CID46205372
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(F)c2F)cc1C1CCNC1
InChIInChI=1S/C17H17F2NO/c1-21-16-6-5-11(9-14(16)12-7-8-20-10-12)13-3-2-4-15(18)17(13)19/h2-6,9,12,20H,7-8,10H2,1H3
InChIKeyOXSXASOPOZMNQU-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine?
The IUPAC name of 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine (CID 46205372) is 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine?
The canonical SMILES for 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine is COc1ccc(-c2cccc(F)c2F)cc1C1CCNC1.
What is the InChIKey of 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine?
The InChIKey is OXSXASOPOZMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-21-16-6-5-11(9-14(16)12-7-8-20-10-12)13-3-2-4-15(18)17(13)19/h2-6,9,12,20H,7-8,10H2,1H3.
What are the key properties of 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine?
3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine has a molecular weight of 289.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-difluorophenyl)-2-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 46205372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).