D-Pentafluorophe

C₉H₆F₅NO₂CAS 40332-58-9255.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₆F₅NO₂
Molar mass: 255.14 g/mol
Exact mass: 255.0319 Da
logP: 1.34Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

40332-58-9

SMILES

C(C1=C(C(=C(C(=C1F)F)F)F)F)[C@H](C(=O)O)N

InChIKey

YYTDJPUFAVPHQA-GSVOUGTGSA-N

InChI

InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m1/s1

Weigh it out

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Names and synonyms

1 names

Pentafluorophenylalanine, D-

Work with D-Pentafluorophe

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.

L-Pentafluorophe34702-59-5Enantiomer

Similar compounds

2,6-Difluoro-l-phenylalanine33787-05-261 % similar 4-Fluoro-L-phenylalanine1132-68-954 % similar 4-Fluoro-D-phenylalanine18125-46-754 % similar 3,5-Difluoro-D-phenylalanine266360-63-854 % similar 3,5-Difluoro-L-phenylalanine31105-91-654 % similar 3,5-Difluorophenylalanine32133-37-254 % similar P-Fluorophenylalanine51-65-054 % similar D-Tyrosine556-02-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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