Text Search
Structure Search

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[2-(trifluoromethyl)phenyl]butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[2-(trifluoromethyl)phenyl]butanoic acid

CAS: 1260591-46-5

Formula: C26H22F3NO4

SMILES: OC(=O)[C@H](CCC1=CC=CC=C1C(F)(F)F)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[2-(trifluoromethyl)phenyl]butanoic acid

InChI: InChI=1S/C26H22F3NO4/c27-26(28,29)22-12-6-1-7-16(22)13-14-23(24(31)32)30-25(33)34-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21,23H,13-15H2,(H,30,33)(H,31,32)/t23-/m0/s1

Composition: C (66.52%), H (4.72%), F (12.14%), N (2.98%), O (13.63%)

Molar Mass: 469.46

Atom Count: 56

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 469.150092681
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OQCKZFPPEYXSHT-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 119.77
Topological Polar Surface Area 75.63
Polarizability 46.4
Ring Count 4
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260591-46-5 $181.44-$413.76$181.44$275.52$413.76
Request Quote