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6588-63-2 molecular structure
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decafluorocyclohexane-1-carbonyl fluoride

ChemBase ID: 57330
Molecular Formular: C7HF11O
Molecular Mass: 310.0646752
Monoisotopic Mass: 309.98517507
SMILES and InChIs

SMILES:
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)C(=O)F)(F)F
Canonical SMILES:
FC(=O)C1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
InChI:
InChI=1S/C7HF11O/c8-2(19)1-3(9,10)5(13,14)7(17,18)6(15,16)4(1,11)12/h1H
InChIKey:
LZESMEMAZGBPLG-UHFFFAOYSA-N

Cite this record

CBID:57330 http://www.chembase.cn/molecule-57330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
decafluorocyclohexane-1-carbonyl fluoride
IUPAC Traditional name
decafluorocyclohexane-1-carbonyl fluoride
Synonyms
2,2,3,3,4,4,5,5,6,6-Decafluorocyclohexane-carbonyl fluoride
CAS Number
6588-63-2
MDL Number
MFCD12198101
PubChem SID
162062093
PubChem CID
45790885

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 45790885 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.415328  H Acceptors
H Donor LogD (pH = 5.5) 1.3170848 
LogD (pH = 7.4) 1.3170782  Log P 3.4162672 
Molar Refractivity 33.4044 cm3 Polarizability 13.2233305 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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