2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine

C11H13ClFN — CID 115028533

IUPAC2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
SMILESCC1(c2ccc(Cl)cc2)NCCC1F
InChIInChI=1S/C11H13ClFN/c1-11(10(13)6-7-14-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7H2,1H3
InChIKeySJZFTMKSYSXUPK-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.89
Rot. Bonds1

About 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine

2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine (PubChem CID 115028533) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
PubChem CID115028533
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
SMILESCC1(c2ccc(Cl)cc2)NCCC1F
InChIInChI=1S/C11H13ClFN/c1-11(10(13)6-7-14-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7H2,1H3
InChIKeySJZFTMKSYSXUPK-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine?
The IUPAC name of 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine (CID 115028533) is 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine?
The canonical SMILES for 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine is CC1(c2ccc(Cl)cc2)NCCC1F.
What is the InChIKey of 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine?
The InChIKey is SJZFTMKSYSXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-11(10(13)6-7-14-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine?
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine is sourced from PubChem (CID 115028533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).