D-Pentafluorophe

C9H6F5NO2CAS 40332-58-9255.14 g/mol

Open in Covalent MOL file
FFFFFOHONH2
Aryl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
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Hazards

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

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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

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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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