5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione

C10H3F3O4S — CID 125493493

IUPAC5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione
SMILESO=C1OC(c2cccs2)=C(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H3F3O4S/c11-10(12,13)8(15)5-6(14)9(16)17-7(5)4-2-1-3-18-4/h1-3H
InChIKeyCQEBTZONSKQQHV-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.72
Rot. Bonds2

About 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione

5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione (PubChem CID 125493493) has the molecular formula C10H3F3O4S and a molecular weight of 276.19 g/mol. Its IUPAC name is 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione.

Molecular Properties

Compound Name5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione
PubChem CID125493493
Molecular FormulaC10H3F3O4S
Molecular Weight276.19 g/mol
Exact Mass275.97
IUPAC Name5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione
SMILESO=C1OC(c2cccs2)=C(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H3F3O4S/c11-10(12,13)8(15)5-6(14)9(16)17-7(5)4-2-1-3-18-4/h1-3H
InChIKeyCQEBTZONSKQQHV-UHFFFAOYSA-N
XLogP1.72
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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CID 71670619
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CID 44562606
4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 11245094
1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone
CID 91267010
1-(1-ethenyl-5-thiophen-2-ylpyrrol-2-yl)-2,2,2-trifluoroethanone
CID 4218698
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
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
3-thiophen-2-ylfuran-2,5-dione
CID 2764270
5-thiophen-2-yl-2-benzofuran-1,3-dione
CID 16768871
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione?
The IUPAC name of 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione (CID 125493493) is 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione.
What is the SMILES notation for 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione?
The canonical SMILES for 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione is O=C1OC(c2cccs2)=C(C(=O)C(F)(F)F)C1=O.
What is the InChIKey of 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione?
The InChIKey is CQEBTZONSKQQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F3O4S/c11-10(12,13)8(15)5-6(14)9(16)17-7(5)4-2-1-3-18-4/h1-3H.
What are the key properties of 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione?
5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione has a molecular weight of 276.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione is sourced from PubChem (CID 125493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).