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266360-61-6 molecular structure
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(2R)-2-amino-3-(2,5-difluorophenyl)propanoic acid

ChemBase ID: 809320
Molecular Formular: C9H9F2NO2
Molecular Mass: 201.1700664
Monoisotopic Mass: 201.06013497
SMILES and InChIs

SMILES:
N[C@H](Cc1c(ccc(c1)F)F)C(=O)O
Canonical SMILES:
N[C@@H](C(=O)O)Cc1cc(F)ccc1F
InChI:
InChI=1S/C9H9F2NO2/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1
InChIKey:
YHYQITHAFYELNW-MRVPVSSYSA-N

Cite this record

CBID:809320 http://www.chembase.cn/molecule-809320.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(2,5-difluorophenyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(2,5-difluorophenyl)propanoic acid
Synonyms
2,5-DIFLUORO-D-PHENYLALANINE
CAS Number
266360-61-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27612 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27612 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4059674  H Acceptors
H Donor LogD (pH = 5.5) -0.8995658 
LogD (pH = 7.4) -0.9046793  Log P -0.89958346 
Molar Refractivity 45.5491 cm3 Polarizability 17.40001 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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