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

C11H13F2N — CID 67174874

IUPAC3-(2,3-difluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(F)c2F)C1
InChIInChI=1S/C11H13F2N/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyXLSLUZRSRCJSFC-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.38
Rot. Bonds1

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

3-(2,3-difluorophenyl)-1-methylpyrrolidine (PubChem CID 67174874) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-methylpyrrolidine
PubChem CID67174874
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-(2,3-difluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(F)c2F)C1
InChIInChI=1S/C11H13F2N/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyXLSLUZRSRCJSFC-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.38
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)-1-methylpyrrolidine?
The IUPAC name of 3-(2,3-difluorophenyl)-1-methylpyrrolidine (CID 67174874) is 3-(2,3-difluorophenyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-methylpyrrolidine is CN1CCC(c2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-methylpyrrolidine?
The InChIKey is XLSLUZRSRCJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-methylpyrrolidine?
3-(2,3-difluorophenyl)-1-methylpyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.38, 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)-1-methylpyrrolidine is sourced from PubChem (CID 67174874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).