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Home > Fluorides > 100646-00-2
100646-00-2 | Hexane, 1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS No: 100646-00-2 Catalog No: AG0002K2 MDL No:
Product Description
Catalog Number:
AG0002K2
Chemical Name:
Hexane, 1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS Number:
100646-00-2
Molecular Formula:
C8H5F13
Molecular Weight:
348.1045
IUPAC Name:
1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)hexane
InChI:
InChI=1S/C8H5F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H2,1H3
InChI Key:
LRXFRJILXQOPKW-UHFFFAOYSA-N
SMILES:
CCC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.107g/mol
Monoisotopic Mass:
348.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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