2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

C13H17ClFNO2 — CID 90759129

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(15)8-11(10)14/h2-3,8,12-13,17H,4-7H2,1H3
InChIKeyHHYRGMIWTRHLBH-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 90759129) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID90759129
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CCC(O)C1c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(15)8-11(10)14/h2-3,8,12-13,17H,4-7H2,1H3
InChIKeyHHYRGMIWTRHLBH-UHFFFAOYSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
CID 67175533
2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
CID 70310452
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
(3S)-4-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 71041194
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 90759129) is 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CCC(O)C1c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is HHYRGMIWTRHLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-7-6-16-5-4-12(17)13(16)10-3-2-9(15)8-11(10)14/h2-3,8,12-13,17H,4-7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 273.73 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 90759129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).