Name: Name:1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG01BBNX
Rating: 90 (10 reviews)

1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one

CAS No.:

1803608-26-5

Catalog Number:

AG01BBNX

Molecular Formula:

C15H14F3NO

Molecular Weight:

281.2730

Catalog Number:

AG01BBNX

Chemical Name:

1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one

CAS Number:

1803608-26-5

Molecular Formula:

C15H14F3NO

Molecular Weight:

281.2730

MDL Number:

MFCD28714581

IUPAC Name:

1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2,2,2-trifluoroethanone

InChI:

InChI=1S/C15H14F3NO/c1-10-8-13(14(20)15(16,17)18)11(2)19(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3

InChI Key:

QNSIRAJXGSFGNF-UHFFFAOYSA-N

SMILES:

Cc1cc(c(n1Cc1ccccc1)C)C(=O)C(F)(F)F

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.278g/mol

Monoisotopic Mass:

281.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9