Name: Name:4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile
Brand: Angene
SKU: AG019KFQ
Rating: 90 (10 reviews)

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile

CAS No.:

929975-19-9

Catalog Number:

AG019KFQ

Molecular Formula:

C9H8F3NO2

Molecular Weight:

219.1605

Catalog Number:

AG019KFQ

Chemical Name:

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile

CAS Number:

929975-19-9

Molecular Formula:

C9H8F3NO2

Molecular Weight:

219.1605

MDL Number:

MFCD09040404

IUPAC Name:

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanenitrile

InChI:

InChI=1S/C9H8F3NO2/c1-6-2-3-7(15-6)8(14,4-5-13)9(10,11)12/h2-3,14H,4H2,1H3

InChI Key:

LBYARJYXQDATNV-UHFFFAOYSA-N

SMILES:

N#CCC(C(F)(F)F)(c1ccc(o1)C)O

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.163g/mol

Monoisotopic Mass:

219.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2