5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran

C11H9F5OS — CID 18323981

IUPAC5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
SMILESCC1(C)C=Cc2sc(C(F)(F)C(F)(F)F)cc2O1
InChIInChI=1S/C11H9F5OS/c1-9(2)4-3-7-6(17-9)5-8(18-7)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKeyHHRZKOVHVAEICZ-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.59
Rot. Bonds1

About 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran

5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran (PubChem CID 18323981) has the molecular formula C11H9F5OS and a molecular weight of 284.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran.

Molecular Properties

Compound Name5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
PubChem CID18323981
Molecular FormulaC11H9F5OS
Molecular Weight284.25 g/mol
Exact Mass284.03
IUPAC Name5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran
SMILESCC1(C)C=Cc2sc(C(F)(F)C(F)(F)F)cc2O1
InChIInChI=1S/C11H9F5OS/c1-9(2)4-3-7-6(17-9)5-8(18-7)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKeyHHRZKOVHVAEICZ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran?
The IUPAC name of 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran (CID 18323981) is 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran.
What is the SMILES notation for 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran?
The canonical SMILES for 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran is CC1(C)C=Cc2sc(C(F)(F)C(F)(F)F)cc2O1.
What is the InChIKey of 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran?
The InChIKey is HHRZKOVHVAEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5OS/c1-9(2)4-3-7-6(17-9)5-8(18-7)10(12,13)11(14,15)16/h3-5H,1-2H3.
What are the key properties of 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran?
5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran has a molecular weight of 284.25 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)thieno[3,2-b]pyran is sourced from PubChem (CID 18323981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).