Name: Name:1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01EL27
Rating: 90 (10 reviews)

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

CAS No.:

2138218-64-9

Catalog Number:

AG01EL27

Molecular Formula:

C22H20F3NO4

Molecular Weight:

419.3937

Catalog Number:

AG01EL27

Chemical Name:

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

CAS Number:

2138218-64-9

Molecular Formula:

C22H20F3NO4

Molecular Weight:

419.3937

MDL Number:

MFCD31590086

IUPAC Name:

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C22H20F3NO4/c23-22(24,25)21(19(27)28)9-11-26(12-10-21)20(29)30-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,27,28)

InChI Key:

PQMGFUTUOIWVTM-UHFFFAOYSA-N

SMILES:

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

Complexity:

637

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

419.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

419.4g/mol

Monoisotopic Mass:

419.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2