2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine

C13H17ClFN — CID 66468283

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2c(F)cccc2Cl)CCCN1
InChIInChI=1S/C13H17ClFN/c1-2-13(7-4-8-16-13)9-10-11(14)5-3-6-12(10)15/h3,5-6,16H,2,4,7-9H2,1H3
InChIKeyOCOSYLXSEPIONQ-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine

2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine (PubChem CID 66468283) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
PubChem CID66468283
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2c(F)cccc2Cl)CCCN1
InChIInChI=1S/C13H17ClFN/c1-2-13(7-4-8-16-13)9-10-11(14)5-3-6-12(10)15/h3,5-6,16H,2,4,7-9H2,1H3
InChIKeyOCOSYLXSEPIONQ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-2-methylazepane
CID 79118175
2-[(2,6-difluorophenyl)methyl]-2-propylazepane
CID 114932369
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66466909
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687653

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine (CID 66468283) is 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine is CCC1(Cc2c(F)cccc2Cl)CCCN1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine?
The InChIKey is OCOSYLXSEPIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-2-13(7-4-8-16-13)9-10-11(14)5-3-6-12(10)15/h3,5-6,16H,2,4,7-9H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine?
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine is sourced from PubChem (CID 66468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).