2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine

C12H15ClFN — CID 83911335

IUPAC2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
SMILESCC(c1cc(F)ccc1Cl)C1CCCN1
InChIInChI=1S/C12H15ClFN/c1-8(12-3-2-6-15-12)10-7-9(14)4-5-11(10)13/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeyUATSEGWJIQDYTA-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.33
Rot. Bonds2

About 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine

2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine (PubChem CID 83911335) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
PubChem CID83911335
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
SMILESCC(c1cc(F)ccc1Cl)C1CCCN1
InChIInChI=1S/C12H15ClFN/c1-8(12-3-2-6-15-12)10-7-9(14)4-5-11(10)13/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeyUATSEGWJIQDYTA-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
CID 145138586
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82286973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine (CID 83911335) is 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine is CC(c1cc(F)ccc1Cl)C1CCCN1.
What is the InChIKey of 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is UATSEGWJIQDYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8(12-3-2-6-15-12)10-7-9(14)4-5-11(10)13/h4-5,7-8,12,15H,2-3,6H2,1H3.
What are the key properties of 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine?
2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 83911335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).