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Home > Fluorides > 101932-18-7
101932-18-7 | Cyclopentanone, 2,5-bis[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
CAS No: 101932-18-7 Catalog No: AG0005ZQ MDL No:
Product Description
Catalog Number:
AG0005ZQ
Chemical Name:
Cyclopentanone, 2,5-bis[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
CAS Number:
101932-18-7
Molecular Formula:
C11H8F12O3
Molecular Weight:
416.1603
IUPAC Name:
2,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
InChI:
InChI=1S/C11H8F12O3/c12-8(13,14)6(25,9(15,16)17)3-1-2-4(5(3)24)7(26,10(18,19)20)11(21,22)23/h3-4,25-26H,1-2H2
InChI Key:
NVMISAZNGOTJHN-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C(F)(F)F)C1CCC(C1=O)C(C(F)(F)F)(C(F)(F)F)O
NSC Number:
664181
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.028g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.163g/mol
Monoisotopic Mass:
416.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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