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768-92-3 molecular structure
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1-fluoroadamantane

ChemBase ID: 95848
Molecular Formular: C10H15F
Molecular Mass: 154.2245032
Monoisotopic Mass: 154.1157787
SMILES and InChIs

SMILES:
FC12CC3CC(C1)CC(C2)C3
Canonical SMILES:
FC12CC3CC(C2)CC(C1)C3
InChI:
InChI=1S/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey:
CPWSNJSGSXXVLD-UHFFFAOYSA-N

Cite this record

CBID:95848 http://www.chembase.cn/molecule-95848.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoroadamantane
IUPAC Traditional name
1-fluoroadamantane
Synonyms
1-Fluoroadamantane
CAS Number
768-92-3
MDL Number
MFCD02682106
PubChem SID
162082497
PubChem CID
136608

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 136608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.463921  LogD (pH = 7.4) 2.463921 
Log P 2.463921  Molar Refractivity 42.186 cm3
Polarizability 16.645792 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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