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

Analyze 3-(2,3-difluorophenyl)-3-fluoro-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenyl)-3-fluoro-1-methylpyrrolidine
CID 68517811
3-(2-chloro-4-fluorophenyl)-3-fluoro-1-methylpyrrolidine
CID 68518134
3-(4-chloro-3-fluorophenyl)-3-fluoro-1-methylpyrrolidine
CID 68520000
3-(3-fluoro-1-methylpyrrolidin-3-yl)benzaldehyde
CID 105460283
1-[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]ethanamine
CID 84727415
[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
CID 84725142
3-(2,3-difluorophenyl)-1-ethylazetidin-3-ol
CID 46208104
4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
CID 158903021
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623

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).