2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine

C12H15ClFNO2 — CID 117403489

IUPAC2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)c(Cl)c(C2CCCN2)c1OC
InChIInChI=1S/C12H15ClFNO2/c1-16-9-6-7(14)11(13)10(12(9)17-2)8-4-3-5-15-8/h6,8,15H,3-5H2,1-2H3
InChIKeyMSEGPKVTLSHGCW-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine

2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine (PubChem CID 117403489) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
PubChem CID117403489
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)c(Cl)c(C2CCCN2)c1OC
InChIInChI=1S/C12H15ClFNO2/c1-16-9-6-7(14)11(13)10(12(9)17-2)8-4-3-5-15-8/h6,8,15H,3-5H2,1-2H3
InChIKeyMSEGPKVTLSHGCW-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine (CID 117403489) is 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine is COc1cc(F)c(Cl)c(C2CCCN2)c1OC.
What is the InChIKey of 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine?
The InChIKey is MSEGPKVTLSHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-9-6-7(14)11(13)10(12(9)17-2)8-4-3-5-15-8/h6,8,15H,3-5H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine?
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine has a molecular weight of 259.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117403489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).