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Home > Fluorides > 121591-51-3
121591-51-3 | 1,3-Pentanediol, 4,4,5,5,5-pentafluoro-
CAS No: 121591-51-3 Catalog No: AG0015D4 MDL No:
Product Description
Catalog Number:
AG0015D4
Chemical Name:
1,3-Pentanediol, 4,4,5,5,5-pentafluoro-
CAS Number:
121591-51-3
Molecular Formula:
C5H7F5O2
Molecular Weight:
194.0999
IUPAC Name:
4,4,5,5,5-pentafluoropentane-1,3-diol
InChI:
InChI=1S/C5H7F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h3,11-12H,1-2H2
InChI Key:
GSTOYUHRSSWEIF-UHFFFAOYSA-N
SMILES:
OCCC(C(C(F)(F)F)(F)F)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.101g/mol
Monoisotopic Mass:
194.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Intermolecular proton transfer in anionic complexes of uracil with alcohols. | The journal of physical chemistry. B 20050714 |
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