3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

C13H17F2NO2 — CID 25143818

IUPAC3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-13(17,9-16)10-3-2-4-11(14)12(10)15/h2-4,17H,5-9H2,1H3
InChIKeyWGXFCVDUBAPUSV-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.50
Rot. Bonds4

About 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 25143818) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID25143818
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-13(17,9-16)10-3-2-4-11(14)12(10)15/h2-4,17H,5-9H2,1H3
InChIKeyWGXFCVDUBAPUSV-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 25143818) is 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CCC(O)(c2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is WGXFCVDUBAPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-13(17,9-16)10-3-2-4-11(14)12(10)15/h2-4,17H,5-9H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 257.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 25143818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).