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352-61-4 molecular structure
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5,5,5-trifluoropentan-1-ol

ChemBase ID: 15297
Molecular Formular: C5H9F3O
Molecular Mass: 142.1195696
Monoisotopic Mass: 142.06054957
SMILES and InChIs

SMILES:
C(CCCC(F)(F)F)O
Canonical SMILES:
OCCCCC(F)(F)F
InChI:
InChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKey:
WNHMIKSCDKSJDI-UHFFFAOYSA-N

Cite this record

CBID:15297 http://www.chembase.cn/molecule-15297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,5,5-trifluoropentan-1-ol
IUPAC Traditional name
5,5,5-trifluoro-1-pentanol
Synonyms
5,5,5-Trifluoropentan-1-ol
CAS Number
352-61-4
MDL Number
MFCD02258748
PubChem SID
160978604
PubChem CID
2769672

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
012897 external link Add to cart Please log in.
Data Source Data ID
PubChem 2769672 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843754  H Acceptors
H Donor LogD (pH = 5.5) 1.4400522 
LogD (pH = 7.4) 1.4400522  Log P 1.4400522 
Molar Refractivity 27.5192 cm3 Polarizability 10.141082 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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