3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine

C13H17ClFN — CID 114866783

IUPAC3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN/c1-3-13-11(6-8(2)16-13)10-5-4-9(14)7-12(10)15/h4-5,7-8,11,13,16H,3,6H2,1-2H3
InChIKeyYNUUALJJRXKDGH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.72
Rot. Bonds2

About 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine

3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine (PubChem CID 114866783) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine
PubChem CID114866783
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFN/c1-3-13-11(6-8(2)16-13)10-5-4-9(14)7-12(10)15/h4-5,7-8,11,13,16H,3,6H2,1-2H3
InChIKeyYNUUALJJRXKDGH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5-methyl-3-(2,4,5-trifluorophenyl)pyrrolidine
CID 114058126
3-(4-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 79427011
3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 102844815
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
CID 55264086
[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol
CID 71831040
4-(4-chloro-2-fluorophenyl)-3-propylpiperidine-2,6-dione
CID 114867243
N-[[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034139
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
(3R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 175476106
[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
CID 81011067

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine (CID 114866783) is 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine is CCC1NC(C)CC1c1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine?
The InChIKey is YNUUALJJRXKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-3-13-11(6-8(2)16-13)10-5-4-9(14)7-12(10)15/h4-5,7-8,11,13,16H,3,6H2,1-2H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine?
3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 114866783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).