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Home > Fluorides > 132740-74-0
132740-74-0 | 2-Pyrrolidinone, 4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]-, cis- (9CI)
CAS No: 132740-74-0 Catalog No: AG00113V MDL No:
Product Description
Catalog Number:
AG00113V
Chemical Name:
2-Pyrrolidinone, 4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]-, cis- (9CI)
CAS Number:
132740-74-0
Molecular Formula:
C20H17F6NO
Molecular Weight:
401.3455
IUPAC Name:
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C20H17F6NO/c1-2-12-11-27(16-8-4-7-15(10-16)20(24,25)26)18(28)17(12)13-5-3-6-14(9-13)19(21,22)23/h3-10,12,17H,2,11H2,1H3
InChI Key:
NNGYUMCCHLIOTR-UHFFFAOYSA-N
SMILES:
CC[C@H]1CN(C(=O)[C@H]1c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.352g/mol
Monoisotopic Mass:
401.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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