1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone

C15H20F2N2O — CID 81475274

IUPAC1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC1CN(CC(=O)c2c(F)cccc2F)CC1N(C)C
InChIInChI=1S/C15H20F2N2O/c1-10-7-19(8-13(10)18(2)3)9-14(20)15-11(16)5-4-6-12(15)17/h4-6,10,13H,7-9H2,1-3H3
InChIKeyWINCUVKDNRBAGP-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.03
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone

1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 81475274) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID81475274
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC1CN(CC(=O)c2c(F)cccc2F)CC1N(C)C
InChIInChI=1S/C15H20F2N2O/c1-10-7-19(8-13(10)18(2)3)9-14(20)15-11(16)5-4-6-12(15)17/h4-6,10,13H,7-9H2,1-3H3
InChIKeyWINCUVKDNRBAGP-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone (CID 81475274) is 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone is CC1CN(CC(=O)c2c(F)cccc2F)CC1N(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is WINCUVKDNRBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-7-19(8-13(10)18(2)3)9-14(20)15-11(16)5-4-6-12(15)17/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone?
1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 81475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).