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1550-50-1 molecular structure
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dimethyl(1,1,2,2-tetrafluoroethyl)amine

ChemBase ID: 100370
Molecular Formular: C4H7F4N
Molecular Mass: 145.0986928
Monoisotopic Mass: 145.05146211
SMILES and InChIs

SMILES:
N(C)(C(C(F)F)(F)F)C
Canonical SMILES:
FC(C(N(C)C)(F)F)F
InChI:
InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
InChIKey:
VIRGYRZBWQFJGJ-UHFFFAOYSA-N

Cite this record

CBID:100370 http://www.chembase.cn/molecule-100370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(1,1,2,2-tetrafluoroethyl)amine
IUPAC Traditional name
dimethyl(1,1,2,2-tetrafluoroethyl)amine
Synonyms
TFEDMA
N,N-Dimethyl-1,1,2,2-tetrafluoroethylamine 97%
CAS Number
1550-50-1
MDL Number
MFCD08461915
PubChem SID
162086998
PubChem CID
21945697

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 21945697 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.83524  H Acceptors
H Donor LogD (pH = 5.5) 1.5046439 
LogD (pH = 7.4) 1.5046439  Log P 1.5046439 
Molar Refractivity 25.1136 cm3 Polarizability 9.143754 Å3
Polar Surface Area 3.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Boiling Point
32°C/127mm expand Show data source
Density
1.22 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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