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408-38-8 molecular structure
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1-fluorohexadecane

ChemBase ID: 93905
Molecular Formular: C16H33F
Molecular Mass: 244.4316232
Monoisotopic Mass: 244.25662928
SMILES and InChIs

SMILES:
FCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCF
InChI:
InChI=1S/C16H33F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey:
SVDDGAXOOORGGW-UHFFFAOYSA-N

Cite this record

CBID:93905 http://www.chembase.cn/molecule-93905.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluorohexadecane
IUPAC Traditional name
1-fluorohexadecane
Synonyms
1-Fluorohexadecane
Hexadecyl fluoride
CAS Number
408-38-8
PubChem SID
162080560
PubChem CID
3013877

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 3013877 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.0312376  LogD (pH = 7.4) 7.0312376 
Log P 7.0312376  Molar Refractivity 75.6548 cm3
Polarizability 29.889643 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

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

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