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335-54-6 molecular structure
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undecafluorohexanamide

ChemBase ID: 99227
Molecular Formular: C6H2F11NO
Molecular Mass: 313.0686152
Monoisotopic Mass: 312.99607411
SMILES and InChIs

SMILES:
O=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Canonical SMILES:
NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C6H2F11NO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
InChIKey:
ATJMLNAMXAIUCX-UHFFFAOYSA-N

Cite this record

CBID:99227 http://www.chembase.cn/molecule-99227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
undecafluorohexanamide
IUPAC Traditional name
undecafluorohexanamide
Synonyms
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanamide
Perfluorohexanamide
CAS Number
335-54-6
PubChem SID
162085514
PubChem CID
14569599

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6763 external link Add to cart Please log in.
Data Source Data ID
PubChem 14569599 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7830417  H Acceptors
H Donor LogD (pH = 5.5) 3.1777933 
LogD (pH = 7.4) 3.1816173  Log P 2.904611 
Molar Refractivity 34.1481 cm3 Polarizability 13.332886 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
120-122°C expand Show data source
Flash Point
>110°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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