Name: Name:Benzonitrile, 4-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)-
Brand: Angene
SKU: AG001SID
Rating: 90 (10 reviews)

Benzonitrile, 4-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)-

CAS No.:

1619264-51-5

Catalog Number:

AG001SID

Molecular Formula:

C14H12F6N2O

Molecular Weight:

338.2483

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

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.253g/mol

Monoisotopic Mass:

338.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7