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34202-69-2 molecular structure
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hexafluoropropan-2-one hydrate

ChemBase ID: 109553
Molecular Formular: C3H2F6O2
Molecular Mass: 184.0371992
Monoisotopic Mass: 183.99589862
SMILES and InChIs

SMILES:
O.FC(F)(F)C(=O)C(F)(F)F
Canonical SMILES:
O=C(C(F)(F)F)C(F)(F)F.O
InChI:
InChI=1S/C3F6O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2
InChIKey:
HEBNOKIGWWEWCN-UHFFFAOYSA-N

Cite this record

CBID:109553 http://www.chembase.cn/molecule-109553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoropropan-2-one hydrate
IUPAC Traditional name
hexafluoroacetone hydrate
Synonyms
HEXAFLUOROACETONE HYDRATE
CAS Number
34202-69-2
PubChem SID
162095704
PubChem CID
61525

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211567 external link Add to cart Please log in.
Data Source Data ID
PubChem 61525 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.370937  LogD (pH = 7.4) 2.370937 
Log P 2.370937  Molar Refractivity 18.2152 cm3
Polarizability 6.654775 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
UC2700000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:25-27 expand Show data source
Safety Statements
S:28-29-36/37/39-45 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211567 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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