3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine

C11H12Cl2FN — CID 68517811

IUPAC3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C11H12Cl2FN/c1-15-5-4-11(14,7-15)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyDBZOUENQYQQBCV-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.49
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine

3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine (PubChem CID 68517811) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine
PubChem CID68517811
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C11H12Cl2FN/c1-15-5-4-11(14,7-15)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyDBZOUENQYQQBCV-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine (CID 68517811) is 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine is CN1CCC(F)(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine?
The InChIKey is DBZOUENQYQQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c1-15-5-4-11(14,7-15)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine?
3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine has a molecular weight of 248.13 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 68517811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).