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84598-77-6 | 3(2H)-Furanone, 2,2-difluoro-5-(trifluoromethyl)-
CAS No: 84598-77-6 Catalog No: AG004UB3 MDL No:
Product Description
Catalog Number:
AG004UB3
Chemical Name:
3(2H)-Furanone, 2,2-difluoro-5-(trifluoromethyl)-
CAS Number:
84598-77-6
Molecular Formula:
C5HF5O2
Molecular Weight:
188.0523
IUPAC Name:
2,2-difluoro-5-(trifluoromethyl)furan-3-one
InChI:
InChI=1S/C5HF5O2/c6-4(7,8)3-1-2(11)5(9,10)12-3/h1H
InChI Key:
YYYSMVADTVSHPZ-UHFFFAOYSA-N
SMILES:
O=C1C=C(OC1(F)F)C(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.053g/mol
Monoisotopic Mass:
187.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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