2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine

C12H15F2N — CID 66466439

IUPAC2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2cccc(F)c2F)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3
InChIKeyJLQMUSMPMAKNEC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.65
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine

2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 66466439) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
PubChem CID66466439
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2cccc(F)c2F)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3
InChIKeyJLQMUSMPMAKNEC-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine (CID 66466439) is 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine is CC1(Cc2cccc(F)c2F)CCCN1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is JLQMUSMPMAKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-12(6-3-7-15-12)8-9-4-2-5-10(13)11(9)14/h2,4-5,15H,3,6-8H2,1H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine?
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 211.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 66466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).