Name: Name:1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01EKO5
Rating: 90 (10 reviews)

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid

CAS No.:

2138366-89-7

Catalog Number:

AG01EKO5

Molecular Formula:

C23H22F3NO5

Molecular Weight:

449.4197

Catalog Number:

AG01EKO5

Chemical Name:

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid

CAS Number:

2138366-89-7

Molecular Formula:

C23H22F3NO5

Molecular Weight:

449.4197

MDL Number:

MFCD31558853

IUPAC Name:

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid

InChI:

InChI=1S/C23H22F3NO5/c24-23(25,26)14-32-22(20(28)29)9-11-27(12-10-22)21(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,28,29)

InChI Key:

PMQGKDNFYOKYBE-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)(OCC(F)(F)F)C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

670

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

449.145g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

449.426g/mol

Monoisotopic Mass:

449.145g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1