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

C11H13ClFNO — CID 90964447

IUPAC2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-14-5-4-10(15)11(14)7-2-3-9(13)8(12)6-7/h2-3,6,10-11,15H,4-5H2,1H3
InChIKeyVMEINWKLJUHBJA-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.22
Rot. Bonds1

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

2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol (PubChem CID 90964447) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol
PubChem CID90964447
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-14-5-4-10(15)11(14)7-2-3-9(13)8(12)6-7/h2-3,6,10-11,15H,4-5H2,1H3
InChIKeyVMEINWKLJUHBJA-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol (CID 90964447) is 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)C1c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol?
The InChIKey is VMEINWKLJUHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-14-5-4-10(15)11(14)7-2-3-9(13)8(12)6-7/h2-3,6,10-11,15H,4-5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol?
2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol has a molecular weight of 229.68 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 90964447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).