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2358-22-7 molecular structure
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tridecafluoroheptanamide

ChemBase ID: 15292
Molecular Formular: C7H2F13NO
Molecular Mass: 363.0761216
Monoisotopic Mass: 362.99288055
SMILES and InChIs

SMILES:
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Canonical SMILES:
NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C7H2F13NO/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H2,21,22)
InChIKey:
SMJYTRJJHRJAED-UHFFFAOYSA-N

Cite this record

CBID:15292 http://www.chembase.cn/molecule-15292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tridecafluoroheptanamide
IUPAC Traditional name
tridecafluoroheptanamide
Synonyms
Tridecafluoroheptanamide
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanamide
Perfluoroheptanamide
CAS Number
2358-22-7
MDL Number
MFCD00407510
PubChem SID
160978599
PubChem CID
2769670

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2769670 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.2639632  H Acceptors
H Donor LogD (pH = 5.5) 3.8811252 
LogD (pH = 7.4) 3.8822944  Log P 3.605254 
Molar Refractivity 38.8161 cm3 Polarizability 15.247322 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
121.5-122.5°C expand Show data source
136°C expand Show data source
Flash Point
>110°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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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