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Home > Fluorides > 101931-57-1
101931-57-1 | 2,4-Pentanediol, 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)-
CAS No: 101931-57-1 Catalog No: AG0005YW MDL No:
Product Description
Catalog Number:
AG0005YW
Chemical Name:
2,4-Pentanediol, 1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)-
CAS Number:
101931-57-1
Molecular Formula:
C7H10F6O2
Molecular Weight:
240.1435
IUPAC Name:
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane-2,4-diol
InChI:
InChI=1S/C7H10F6O2/c1-4(2,14)3-5(15,6(8,9)10)7(11,12)13/h14-15H,3H2,1-2H3
InChI Key:
BXXMNESHOLNUNS-UHFFFAOYSA-N
SMILES:
CC(CC(C(F)(F)F)(C(F)(F)F)O)(O)C
NSC Number:
162158
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.145g/mol
Monoisotopic Mass:
240.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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