2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one

C8H13F2NO — CID 130667579

IUPAC2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-6-3-4-11(5-6)7(12)8(2,9)10/h6H,3-5H2,1-2H3
InChIKeyOUMOGMGAPOTNHQ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds1

About 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one

2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 130667579) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID130667579
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-6-3-4-11(5-6)7(12)8(2,9)10/h6H,3-5H2,1-2H3
InChIKeyOUMOGMGAPOTNHQ-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-difluoropropan-1-one
CID 131070818
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylpyrrolidine-1-carboxylate
CID 123284912
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130934837
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 130667579) is 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is OUMOGMGAPOTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6-3-4-11(5-6)7(12)8(2,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one?
2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 177.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 130667579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).