2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one

C7H4F5NO — CID 23352309

IUPAC2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one
SMILESO=C(n1cccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H
InChIKeyGPGSQDYSGYXFAG-UHFFFAOYSA-N
MW213.11 g/mol
LogP2.33
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one

2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one (PubChem CID 23352309) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one
PubChem CID23352309
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one
SMILESO=C(n1cccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H
InChIKeyGPGSQDYSGYXFAG-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one (CID 23352309) is 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one is O=C(n1cccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one?
The InChIKey is GPGSQDYSGYXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one?
2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one has a molecular weight of 213.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 23352309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).