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1365994-82-6 | 4-Ethoxy-1,1,1-trifluoro-4-morpholin-4-yl-but-3-en-2-one
CAS No: 1365994-82-6 Catalog No: AG01F7J8 MDL No:MFCD21602197
Product Description
Catalog Number:
AG01F7J8
Chemical Name:
4-Ethoxy-1,1,1-trifluoro-4-morpholin-4-yl-but-3-en-2-one
CAS Number:
1365994-82-6
Molecular Formula:
C10H14F3NO3
Molecular Weight:
253.2183
MDL Number:
MFCD21602197
IUPAC Name:
(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
InChI:
InChI=1S/C10H14F3NO3/c1-2-17-9(7-8(15)10(11,12)13)14-3-5-16-6-4-14/h7H,2-6H2,1H3/b9-7+
InChI Key:
ZRZIPUTWHZAYAJ-VQHVLOKHSA-N
SMILES:
CCO/C(=C/C(=O)C(F)(F)F)/N1CCOCC1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.221g/mol
Monoisotopic Mass:
253.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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