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14115-49-2 | 1-Butanol, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-
CAS No: 14115-49-2 Catalog No: AG001G08 MDL No:
Product Description
Catalog Number:
AG001G08
Chemical Name:
1-Butanol, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-
CAS Number:
14115-49-2
Molecular Formula:
C6H5F9O
Molecular Weight:
264.0889
IUPAC Name:
4,4,4-trifluoro-3,3-bis(trifluoromethyl)butan-1-ol
InChI:
InChI=1S/C6H5F9O/c7-4(8,9)3(1-2-16,5(10,11)12)6(13,14)15/h16H,1-2H2
InChI Key:
BUPOXNIZANUQTQ-UHFFFAOYSA-N
SMILES:
OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.091g/mol
Monoisotopic Mass:
264.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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