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Compound Fr13082

CAT: 0931-Fr13082-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr13082-02Size:1 g
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CAS Number
326-90-9
Bioactivity
Compound Fr13082, with CAS No. 326-90-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13082 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC(=CC(=O)C1=CC=CO1)C(F)(F)F
Molecular Formula
C8H5F3O3
Molecular Weight
206.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione

inhibitor of electron transport

CAS Number326-90-9
PubChem CID67594
IUPAC Name4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
Molecular FormulaC8H5F3O3
Molecular Weight206.12
XLogP1.5
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity247
SMILES
C1=COC(=C1)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKey
OWLPCALGCHDBCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
CAS: 326-90-9
CID: 67594
Formula: C8H5F3O3
MW: 206.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.12
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass206.01907850
Monoisotopic Mass206.01907850
Topological Polar Surface Area47.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13083-01Compound Fr13083
Fr13682-01Compound Fr13682
Fr13042-01Compound Fr13042
Fr13482-01Compound Fr13482
Fr13084-01Compound Fr13084
Fr13002-01Compound Fr13002
Fr13782-01Compound Fr13782
Fr13022-01Compound Fr13022
Fr13282-01Compound Fr13282
Fr13982-01Compound Fr13982

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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