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Home > Fluorides > 264197-41-3
264197-41-3 | 2-Butynal, 4-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]-
CAS No: 264197-41-3 Catalog No: AG002T4I MDL No:
Product Description
Catalog Number:
AG002T4I
Chemical Name:
2-Butynal, 4-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]-
CAS Number:
264197-41-3
Molecular Formula:
C24H20F7NO3
Molecular Weight:
503.4093
IUPAC Name:
4-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]but-2-ynal
InChI:
InChI=1S/C24H20F7NO3/c1-15(17-12-18(23(26,27)28)14-19(13-17)24(29,30)31)35-22-21(16-4-6-20(25)7-5-16)32(9-11-34-22)8-2-3-10-33/h4-7,10,12-15,21-22H,8-9,11H2,1H3/t15-,21+,22-/m1/s1
InChI Key:
PBOIVRMOYJUXDF-KBJGYGKASA-N
SMILES:
O=CC#CCN1CCO[C@@H]([C@@H]1c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
503.133g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.417g/mol
Monoisotopic Mass:
503.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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