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307-30-2 molecular structure
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heptadecafluorooctan-1-ol

ChemBase ID: 110582
Molecular Formular: C8HF17O
Molecular Mass: 436.0657944
Monoisotopic Mass: 435.97559439
SMILES and InChIs

SMILES:
OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Canonical SMILES:
OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8HF17O/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26/h26H
InChIKey:
UQDUPHDELLQMOV-UHFFFAOYSA-N

Cite this record

CBID:110582 http://www.chembase.cn/molecule-110582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
heptadecafluorooctan-1-ol
IUPAC Traditional name
heptadecafluorooctan-1-ol
Synonyms
DIHYDROPERFLUOROOCTANOL
CAS Number
307-30-2
PubChem SID
162096156
PubChem CID
14571268

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05215609 external link Add to cart Please log in.
Data Source Data ID
PubChem 14571268 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.464167  H Acceptors
H Donor LogD (pH = 5.5) 4.4191265 
LogD (pH = 7.4) 2.8226938  Log P 5.488514 
Molar Refractivity 42.2845 cm3 Polarizability 16.870594 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05215609 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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