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1365994-81-5 | 4-Ethoxy-1,1,1-trifluoro-4-pyrrolidin-1-ylbut-3-en-2-one
CAS No: 1365994-81-5 Catalog No: AG01F7J7 MDL No:MFCD21602202
Product Description
Catalog Number:
AG01F7J7
Chemical Name:
4-Ethoxy-1,1,1-trifluoro-4-pyrrolidin-1-ylbut-3-en-2-one
CAS Number:
1365994-81-5
Molecular Formula:
C10H14F3NO2
Molecular Weight:
237.2189
MDL Number:
MFCD21602202
IUPAC Name:
(E)-4-ethoxy-1,1,1-trifluoro-4-pyrrolidin-1-ylbut-3-en-2-one
InChI:
InChI=1S/C10H14F3NO2/c1-2-16-9(14-5-3-4-6-14)7-8(15)10(11,12)13/h7H,2-6H2,1H3/b9-7+
InChI Key:
MTOBIGWRAORKJY-VQHVLOKHSA-N
SMILES:
CCO/C(=C/C(=O)C(F)(F)F)/N1CCCC1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
237.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.222g/mol
Monoisotopic Mass:
237.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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