2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine

C12H15ClFNO2 — CID 117403491

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

About 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine

2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine (PubChem CID 117403491) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
PubChem CID117403491
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCCN2)c(F)c(Cl)c1OC
InChIInChI=1S/C12H15ClFNO2/c1-16-9-6-7(8-4-3-5-15-8)11(14)10(13)12(9)17-2/h6,8,15H,3-5H2,1-2H3
InChIKeyWBWWLVRCKFVNHH-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-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine (CID 117403491) is 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine is COc1cc(C2CCCN2)c(F)c(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine?
The InChIKey is WBWWLVRCKFVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-9-6-7(8-4-3-5-15-8)11(14)10(13)12(9)17-2/h6,8,15H,3-5H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine?
2-(3-chloro-2-fluoro-4,5-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-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117403491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).