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Home > Fluorides > 1619264-51-5
1619264-51-5 | Benzonitrile, 4-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)-
CAS No: 1619264-51-5 Catalog No: AG001SID MDL No:MFCD28101696
Product Description
Catalog Number:
AG001SID
Chemical Name:
Benzonitrile, 4-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)-
CAS Number:
1619264-51-5
Molecular Formula:
C14H12F6N2O
Molecular Weight:
338.2483
MDL Number:
MFCD28101696
IUPAC Name:
4-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2
InChI Key:
OPSIVAKKLQRWKC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)N1CCCC1C(C(F)(F)F)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.253g/mol
Monoisotopic Mass:
338.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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