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Home > Fluorides > 129443-08-9
129443-08-9 | 2-Octanol, 1,1,1-trifluoro-, (2S)-
CAS No: 129443-08-9 Catalog No: AG000Z55 MDL No:MFCD06799352
Product Description
Catalog Number:
AG000Z55
Chemical Name:
2-Octanol, 1,1,1-trifluoro-, (2S)-
CAS Number:
129443-08-9
Molecular Formula:
C8H15F3O
Molecular Weight:
184.1993
MDL Number:
MFCD06799352
IUPAC Name:
(2S)-1,1,1-trifluorooctan-2-ol
InChI:
InChI=1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m0/s1
InChI Key:
INAIBHXNHIEDAM-ZETCQYMHSA-N
SMILES:
CCCCCC[C@@H](C(F)(F)F)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.107g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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