Fmoc-L-4-fluorophe

C₂₄H₂₀FNO₄CAS 169243-86-1405.43 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₀FNO₄
Molar mass: 405.43 g/mol
Exact mass: 405.1376 Da
logP: 4.36Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

169243-86-1

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O

InChIKey

IXUMACXMEZBPJG-QFIPXVFZSA-N

InChI

InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

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Names and synonyms

1 names

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoro-L-phenylalanine

Work with Fmoc-L-4-fluorophe

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-2Enantiomer

Similar compounds

Fmoc-phe(3,5-F2)-OH205526-24-583 % similar Fmoc-phe-oh286460-71-782 % similar Fmoc-D-phenylalanine86123-10-682 % similar Fmoc-D-tyr-oh112883-29-180 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-080 % similar Fmoc-L-4,4'-biphenylalanine199110-64-079 % similar Fmoc-D-4-chlorophe142994-19-277 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-477 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1 Fmoc-L-3-fluorophe198560-68-8 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-7

Elsewhere

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