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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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).