5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole

C11H11F2N — CID 142128899

IUPAC5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CN=C(c2c(F)cccc2F)C1
InChIInChI=1S/C11H11F2N/c1-7-5-10(14-6-7)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3
InChIKeyOCEYXDXIBCFORG-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.79
Rot. Bonds1

About 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole

5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 142128899) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
PubChem CID142128899
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CN=C(c2c(F)cccc2F)C1
InChIInChI=1S/C11H11F2N/c1-7-5-10(14-6-7)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3
InChIKeyOCEYXDXIBCFORG-UHFFFAOYSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole (CID 142128899) is 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole is CC1CN=C(c2c(F)cccc2F)C1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is OCEYXDXIBCFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-7-5-10(14-6-7)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole?
5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 195.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142128899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).