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Home > Fluorides > 136655-98-6
136655-98-6 | 1-Butanol, 4,4,4-trifluoro-2-methyl-, (2R)-
CAS No: 136655-98-6 Catalog No: AG00126K MDL No:
Product Description
Catalog Number:
AG00126K
Chemical Name:
1-Butanol, 4,4,4-trifluoro-2-methyl-, (2R)-
CAS Number:
136655-98-6
Molecular Formula:
C5H9F3O
Molecular Weight:
142.1196
IUPAC Name:
(2R)-4,4,4-trifluoro-2-methylbutan-1-ol
InChI:
InChI=1S/C5H9F3O/c1-4(3-9)2-5(6,7)8/h4,9H,2-3H2,1H3/t4-/m1/s1
InChI Key:
SSXCXTKPQAFQAP-SCSAIBSYSA-N
SMILES:
OC[C@@H](CC(F)(F)F)C
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
142.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.121g/mol
Monoisotopic Mass:
142.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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