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

C13H17F2NO2 — CID 91234960

IUPAC2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-11(17)13(16)9-3-2-4-10(14)12(9)15/h2-4,11,13,17H,5-8H2,1H3
InChIKeyCDCBLSQPHXEKHM-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.72
Rot. Bonds4

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

2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 91234960) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID91234960
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-11(17)13(16)9-3-2-4-10(14)12(9)15/h2-4,11,13,17H,5-8H2,1H3
InChIKeyCDCBLSQPHXEKHM-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Preussin I
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Preussin J
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Preussin
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CID 168278968
Preussin K
CID 145966997
Preussin H
CID 145971873
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CID 56199
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CID 202127
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 91234960) is 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CCC(O)C1c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is CDCBLSQPHXEKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-18-8-7-16-6-5-11(17)13(16)9-3-2-4-10(14)12(9)15/h2-4,11,13,17H,5-8H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 257.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 91234960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).