2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one

C8H4F5NOS — CID 175689671

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one
SMILESO=C1NCc2sc(C(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C8H4F5NOS/c9-7(10,8(11,12)13)5-1-3-4(16-5)2-14-6(3)15/h1H,2H2,(H,14,15)
InChIKeyPAQZUSNANXNTLM-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.65
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one

2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one (PubChem CID 175689671) has the molecular formula C8H4F5NOS and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one
PubChem CID175689671
Molecular FormulaC8H4F5NOS
Molecular Weight257.18 g/mol
Exact Mass256.99
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one
SMILESO=C1NCc2sc(C(F)(F)C(F)(F)F)cc21
InChIInChI=1S/C8H4F5NOS/c9-7(10,8(11,12)13)5-1-3-4(16-5)2-14-6(3)15/h1H,2H2,(H,14,15)
InChIKeyPAQZUSNANXNTLM-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one (CID 175689671) is 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one is O=C1NCc2sc(C(F)(F)C(F)(F)F)cc21.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
The InChIKey is PAQZUSNANXNTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NOS/c9-7(10,8(11,12)13)5-1-3-4(16-5)2-14-6(3)15/h1H,2H2,(H,14,15).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one?
2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one has a molecular weight of 257.18 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-5,6-dihydrothieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 175689671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).