Name: Name:(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG00ILDD
Rating: 90 (10 reviews)

(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS No.:

1909288-71-6

Catalog Number:

AG00ILDD

Molecular Formula:

C6H8F3NO2

Molecular Weight:

183.1284

Catalog Number:

AG00ILDD

Chemical Name:

(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS Number:

1909288-71-6

Molecular Formula:

C6H8F3NO2

Molecular Weight:

183.1284

MDL Number:

MFCD29907135

IUPAC Name:

(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C6H8F3NO2/c7-6(8,9)4-2-10-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12)/t3-,4-/m1/s1

InChI Key:

PDWZJYCKCFENCX-QWWZWVQMSA-N

SMILES:

OC(=O)[C@@H]1CNC[C@H]1C(F)(F)F

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.13g/mol

Monoisotopic Mass:

183.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.8