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Home > Fluorides > 824954-68-9
824954-68-9 | 1,1,1-trifluoro-4-isopropylimino-2-(trifluoromethyl)butane-2-ol
CAS No: 824954-68-9 Catalog No: AG01EXK2 MDL No:
Product Description
Catalog Number:
AG01EXK2
Chemical Name:
1,1,1-trifluoro-4-isopropylimino-2-(trifluoromethyl)butane-2-ol
CAS Number:
824954-68-9
Molecular Formula:
C8H11F6NO
Molecular Weight:
251.1695
IUPAC Name:
1,1,1-trifluoro-4-propan-2-ylimino-2-(trifluoromethyl)butan-2-ol
InChI:
InChI=1S/C8H11F6NO/c1-5(2)15-4-3-6(16,7(9,10)11)8(12,13)14/h4-5,16H,3H2,1-2H3
InChI Key:
PRARVJASXOSCQK-UHFFFAOYSA-N
SMILES:
CC(/N=C/CC(C(F)(F)F)(C(F)(F)F)O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.172g/mol
Monoisotopic Mass:
251.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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