2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone

C19H7F13O4S3 — CID 21093218

IUPAC2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2ccc(-c3cccs3)s2)s1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C19H7F13O4S3/c20-14(21,34-15(22,23)16(24,25)35-17(26,27)18(28,29)36-19(30,31)32)13(33)12-6-5-11(39-12)10-4-3-9(38-10)8-2-1-7-37-8/h1-7H
InChIKeyWLNGQMPFRMLNGC-UHFFFAOYSA-N
MW642.44 g/mol
LogP8.92
Rot. Bonds11

About 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone

2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone (PubChem CID 21093218) has the molecular formula C19H7F13O4S3 and a molecular weight of 642.44 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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
PubChem CID21093218
Molecular FormulaC19H7F13O4S3
Molecular Weight642.44 g/mol
Exact Mass641.93
IUPAC Name2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2ccc(-c3cccs3)s2)s1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C19H7F13O4S3/c20-14(21,34-15(22,23)16(24,25)35-17(26,27)18(28,29)36-19(30,31)32)13(33)12-6-5-11(39-12)10-4-3-9(38-10)8-2-1-7-37-8/h1-7H
InChIKeyWLNGQMPFRMLNGC-UHFFFAOYSA-N
XLogP8.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.44
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone with MolForge

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Related Compounds

2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 21093220
1-[4-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetyl]-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]-2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanone
CID 87770204
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
CID 44562606
2-bromo-1-(5-thiophen-2-ylthiophen-2-yl)ethanone
CID 130133420
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-prop-2-enoyloxybutyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 177442308
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 90644699
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
[(E)-[3-cyclopentyl-1-(5-thiophen-2-ylthiophen-2-yl)propylidene]amino] acetate
CID 155429845
bis(carbon dioxide);5-[5-[4-(carboxymethyl)-5-[5-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 158329283

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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone (CID 21093218) is 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone.
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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone is O=C(c1ccc(-c2ccc(-c3cccs3)s2)s1)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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone?
The InChIKey is WLNGQMPFRMLNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7F13O4S3/c20-14(21,34-15(22,23)16(24,25)35-17(26,27)18(28,29)36-19(30,31)32)13(33)12-6-5-11(39-12)10-4-3-9(38-10)8-2-1-7-37-8/h1-7H.
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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone?
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone has a molecular weight of 642.44 g/mol, XLogP of 8.92, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 21093218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).