(2S)-3-(4,4-difluorocyclohexyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(4,4-difluorocyclohexyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 2276607-04-4

Formula: C24H25F2NO4

SMILES: OC(=O)[C@H](CC1CCC(F)(F)CC1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(4,4-difluorocyclohexyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H25F2NO4/c25-24(26)11-9-15(10-12-24)13-21(22(28)29)27-23(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,27,30)(H,28,29)/t21-/m0/s1

Composition: C (67.12%), H (5.87%), F (8.85%), N (3.26%), O (14.90%)

Molar Mass: 429.464

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	429.175164615
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RMSWMCCCXPTECG-NRFANRHFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.85
Topological Polar Surface Area	75.63
Polarizability	43.73
Ring Count	4
Rotatable Bond Count	7

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