3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine

C12H15F2NO — CID 46219228

IUPAC3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine
SMILESCOC1(c2ccc(F)c(F)c2)CCN(C)C1
InChIInChI=1S/C12H15F2NO/c1-15-6-5-12(8-15,16-2)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZZTDMILYLXLCSC-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.14
Rot. Bonds2

About 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine

3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine (PubChem CID 46219228) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine
PubChem CID46219228
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine
SMILESCOC1(c2ccc(F)c(F)c2)CCN(C)C1
InChIInChI=1S/C12H15F2NO/c1-15-6-5-12(8-15,16-2)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZZTDMILYLXLCSC-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine?
The IUPAC name of 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine (CID 46219228) is 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine?
The canonical SMILES for 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine is COC1(c2ccc(F)c(F)c2)CCN(C)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine?
The InChIKey is ZZTDMILYLXLCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-15-6-5-12(8-15,16-2)9-3-4-10(13)11(14)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine?
3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-3-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 46219228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).