3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine

C11H12F3N — CID 68520060

IUPAC3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(c2cccc(F)c2F)C1
InChIInChI=1S/C11H12F3N/c1-15-6-5-11(14,7-15)8-3-2-4-9(12)10(8)13/h2-4H,5-7H2,1H3
InChIKeyXVZMAGBSTUDVKQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.47
Rot. Bonds1

About 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine

3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine (PubChem CID 68520060) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine
PubChem CID68520060
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine
SMILESCN1CCC(F)(c2cccc(F)c2F)C1
InChIInChI=1S/C11H12F3N/c1-15-6-5-11(14,7-15)8-3-2-4-9(12)10(8)13/h2-4H,5-7H2,1H3
InChIKeyXVZMAGBSTUDVKQ-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine?
The IUPAC name of 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine (CID 68520060) is 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine?
The canonical SMILES for 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine is CN1CCC(F)(c2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine?
The InChIKey is XVZMAGBSTUDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-15-6-5-11(14,7-15)8-3-2-4-9(12)10(8)13/h2-4H,5-7H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine?
3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 68520060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).