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750571-31-4 molecular structure
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(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine

ChemBase ID: 808694
Molecular Formular: C9H10FNO
Molecular Mass: 167.1802032
Monoisotopic Mass: 167.07464217
SMILES and InChIs

SMILES:
N[C@@H]1CCOc2c(cccc12)F
Canonical SMILES:
N[C@@H]1CCOc2c1cccc2F
InChI:
InChI=1S/C9H10FNO/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/t8-/m1/s1
InChIKey:
HXACNHXAKSMYNU-MRVPVSSYSA-N

Cite this record

CBID:808694 http://www.chembase.cn/molecule-808694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
IUPAC Traditional name
(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
Synonyms
(4R)-8-FLUOROCHROMANE-4-YLAMINE
CAS Number
750571-31-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26883 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26883 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8795485  LogD (pH = 7.4) -0.5856825 
Log P 1.0322468  Molar Refractivity 43.7776 cm3
Polarizability 16.989649 Å3 Polar Surface Area 35.25 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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