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87517-41-7 | Butane, 1,3,3-trifluoro-2-(fluoromethyl)-
CAS No: 87517-41-7 Catalog No: AG004DJP MDL No:
Product Description
Catalog Number:
AG004DJP
Chemical Name:
Butane, 1,3,3-trifluoro-2-(fluoromethyl)-
CAS Number:
87517-41-7
Molecular Formula:
C5H8F4
Molecular Weight:
144.1106
IUPAC Name:
1,3,3-trifluoro-2-(fluoromethyl)butane
InChI:
InChI=1S/C5H8F4/c1-5(8,9)4(2-6)3-7/h4H,2-3H2,1H3
InChI Key:
HJMBLRUETJHBFL-UHFFFAOYSA-N
SMILES:
FCC(C(F)(F)C)CF
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.113g/mol
Monoisotopic Mass:
144.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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