2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine

C13H17ClFN — CID 106871141

IUPAC2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
SMILESCc1ccc(CC(F)C2CCCN2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-9-4-5-10(11(14)7-9)8-12(15)13-3-2-6-16-13/h4-5,7,12-13,16H,2-3,6,8H2,1H3
InChIKeyHGTIBEMYOKWPSL-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine

2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine (PubChem CID 106871141) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
PubChem CID106871141
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
SMILESCc1ccc(CC(F)C2CCCN2)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-9-4-5-10(11(14)7-9)8-12(15)13-3-2-6-16-13/h4-5,7,12-13,16H,2-3,6,8H2,1H3
InChIKeyHGTIBEMYOKWPSL-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
CID 106640209
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
4-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640524
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine (CID 106871141) is 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine is Cc1ccc(CC(F)C2CCCN2)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine?
The InChIKey is HGTIBEMYOKWPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-4-5-10(11(14)7-9)8-12(15)13-3-2-6-16-13/h4-5,7,12-13,16H,2-3,6,8H2,1H3.
What are the key properties of 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine?
2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 106871141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).