Fmoc-phe(4-CF3)-OH
Properties
- Molecular formula
- C25H20F3NO4
- Molar mass
- 455.43 g/mol
- Exact mass
- 455.1344 Da
- logP
- 5.24Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 6
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
247113-86-6SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C(F)(F)F)C(=O)OInChIKey
YMEGJWTUWMVZPD-QFIPXVFZSA-NInChI
InChI=1S/C25H20F3NO4/c26-25(27,28)16-11-9-15(10-12-16)13-22(23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Fmoc-L-4-trifluoromethylphe
Work with Fmoc-phe(4-CF3)-OH
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Fmoc-phe-oh286460-71-777 % similar
Fmoc-D-phenylalanine86123-10-677 % similar
Fmoc-L-4-fluorophe169243-86-176 % similar
Fmoc-D-tyr-oh112883-29-176 % similar
(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-076 % similar
Fmoc-L-4,4'-biphenylalanine199110-64-075 % similar
Fmoc-D-4-carbamoylphe1217610-39-374 % similar
Fmoc-D-4-chlorophe142994-19-273 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
Fmoc-L-3-trifluoromethylphenylalanine205526-27-8
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-9
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-15-0
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-16-1