2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

C13H17F2NO2 — CID 91579834

IUPAC2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(14)8-11(10)15/h2-3,8,12-13,17H,4-7H2,1H3
InChIKeyXHCBRIIBEUZHHN-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.72
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 91579834) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID91579834
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(14)8-11(10)15/h2-3,8,12-13,17H,4-7H2,1H3
InChIKeyXHCBRIIBEUZHHN-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
CID 145964355
Preussin J
CID 145974228
Preussin
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(2R,3R,4S)-1-benzyl-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-3,4-diol
CID 44238158
(2R,3R,4R)-2-(4-fluorophenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168278968
Preussin K
CID 145966997
Preussin H
CID 145971873
2-Morpholin-4-yl-2-phenylethanol
CID 10899797
2-Methyl-1-morpholino-1-phenylpropan-2-ol
CID 46885514
alpha-Methyl-beta-phenyl-1-aziridineethanol
CID 56199
1-Piperazineethanol, beta-(p-fluorophenyl)-4-methyl-
CID 202127
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (S-(R*,R*))-
CID 3049917

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 91579834) is 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CCC(O)C1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is XHCBRIIBEUZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(14)8-11(10)15/h2-3,8,12-13,17H,4-7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
2-(2,4-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-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 91579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).