2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol

C13H17ClFNO — CID 90924001

IUPAC2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)C1c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-2-6-16-7-5-12(17)13(16)10-4-3-9(15)8-11(10)14/h3-4,8,12-13,17H,2,5-7H2,1H3
InChIKeyHWMUUFPAZLFLDM-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol

2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol (PubChem CID 90924001) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol
PubChem CID90924001
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)C1c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-2-6-16-7-5-12(17)13(16)10-4-3-9(15)8-11(10)14/h3-4,8,12-13,17H,2,5-7H2,1H3
InChIKeyHWMUUFPAZLFLDM-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol (CID 90924001) is 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol is CCCN1CCC(O)C1c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol?
The InChIKey is HWMUUFPAZLFLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-2-6-16-7-5-12(17)13(16)10-4-3-9(15)8-11(10)14/h3-4,8,12-13,17H,2,5-7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol?
2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol has a molecular weight of 257.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-propylpyrrolidin-3-ol is sourced from PubChem (CID 90924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).