3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine

C12H15F2NO2 — CID 117359549

IUPAC3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)c(F)c(C2CCNC2)c1OC
InChIInChI=1S/C12H15F2NO2/c1-16-9-5-8(13)11(14)10(12(9)17-2)7-3-4-15-6-7/h5,7,15H,3-4,6H2,1-2H3
InChIKeyVYKSDZOESAYVJE-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.06
Rot. Bonds3

About 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine

3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine (PubChem CID 117359549) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
PubChem CID117359549
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)c(F)c(C2CCNC2)c1OC
InChIInChI=1S/C12H15F2NO2/c1-16-9-5-8(13)11(14)10(12(9)17-2)7-3-4-15-6-7/h5,7,15H,3-4,6H2,1-2H3
InChIKeyVYKSDZOESAYVJE-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-(5-chloro-2,3-dimethoxy-6-nitrophenyl)pyrrolidine
CID 165355585
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine (CID 117359549) is 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine is COc1cc(F)c(F)c(C2CCNC2)c1OC.
What is the InChIKey of 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine?
The InChIKey is VYKSDZOESAYVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-16-9-5-8(13)11(14)10(12(9)17-2)7-3-4-15-6-7/h5,7,15H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine?
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine has a molecular weight of 243.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117359549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).