1-(3,3-difluoropyrrolidin-1-yl)ethanone

C6H9F2NO — CID 59317737

IUPAC1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-5(10)9-3-2-6(7,8)4-9/h2-4H2,1H3
InChIKeyLEYNSBLCFVCULI-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds

About 1-(3,3-difluoropyrrolidin-1-yl)ethanone

1-(3,3-difluoropyrrolidin-1-yl)ethanone (PubChem CID 59317737) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)ethanone
PubChem CID59317737
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c1-5(10)9-3-2-6(7,8)4-9/h2-4H2,1H3
InChIKeyLEYNSBLCFVCULI-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)ethanone (CID 59317737) is 1-(3,3-difluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)ethanone is CC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The InChIKey is LEYNSBLCFVCULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-5(10)9-3-2-6(7,8)4-9/h2-4H2,1H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)ethanone?
1-(3,3-difluoropyrrolidin-1-yl)ethanone has a molecular weight of 149.14 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 59317737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).