1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one

C8H11F2NO2 — CID 134563862

IUPAC1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C(C)(F)F
InChIInChI=1S/C8H11F2NO2/c1-5(12)11-6(8(2,9)10)3-4-7(11)13/h6H,3-4H2,1-2H3
InChIKeyJKVCLYOCPFPCIR-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.18
Rot. Bonds1

About 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one

1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one (PubChem CID 134563862) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one
PubChem CID134563862
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1C(C)(F)F
InChIInChI=1S/C8H11F2NO2/c1-5(12)11-6(8(2,9)10)3-4-7(11)13/h6H,3-4H2,1-2H3
InChIKeyJKVCLYOCPFPCIR-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one (CID 134563862) is 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one is CC(=O)N1C(=O)CCC1C(C)(F)F.
What is the InChIKey of 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one?
The InChIKey is JKVCLYOCPFPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-5(12)11-6(8(2,9)10)3-4-7(11)13/h6H,3-4H2,1-2H3.
What are the key properties of 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one?
1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one has a molecular weight of 191.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 134563862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).