2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone

C11H3F13O4S — CID 58764494

IUPAC2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C11H3F13O4S/c12-6(13,5(25)4-2-1-3-29-4)26-7(14,15)8(16,17)27-9(18,19)10(20,21)28-11(22,23)24/h1-3H
InChIKeyUVMBLXYUSATSHW-UHFFFAOYSA-N
MW478.18 g/mol
LogP5.46
Rot. Bonds9

About 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone

2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone (PubChem CID 58764494) has the molecular formula C11H3F13O4S and a molecular weight of 478.18 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone
PubChem CID58764494
Molecular FormulaC11H3F13O4S
Molecular Weight478.18 g/mol
Exact Mass477.95
IUPAC Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C11H3F13O4S/c12-6(13,5(25)4-2-1-3-29-4)26-7(14,15)8(16,17)27-9(18,19)10(20,21)28-11(22,23)24/h1-3H
InChIKeyUVMBLXYUSATSHW-UHFFFAOYSA-N
XLogP5.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.18
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone?
The IUPAC name of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone (CID 58764494) is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone?
The canonical SMILES for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone is O=C(c1cccs1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone?
The InChIKey is UVMBLXYUSATSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F13O4S/c12-6(13,5(25)4-2-1-3-29-4)26-7(14,15)8(16,17)27-9(18,19)10(20,21)28-11(22,23)24/h1-3H.
What are the key properties of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone?
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone has a molecular weight of 478.18 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone is sourced from PubChem (CID 58764494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).