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360-95-2 molecular structure
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2,2,2-trifluoro-1-(morpholin-4-yl)ethan-1-one

ChemBase ID: 99546
Molecular Formular: C6H8F3NO2
Molecular Mass: 183.1284296
Monoisotopic Mass: 183.05071316
SMILES and InChIs

SMILES:
N1(C(=O)C(F)(F)F)CCOCC1
Canonical SMILES:
O=C(C(F)(F)F)N1CCOCC1
InChI:
InChI=1S/C6H8F3NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKey:
UTPCRKXZUFAUIB-UHFFFAOYSA-N

Cite this record

CBID:99546 http://www.chembase.cn/molecule-99546.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,2-trifluoro-1-(morpholin-4-yl)ethan-1-one
IUPAC Traditional name
2,2,2-trifluoro-1-(morpholin-4-yl)ethanone
Synonyms
4-(Trifluoroacetyl)morpholine
N-Trifluoroacetylmorpholine
CAS Number
360-95-2
MDL Number
MFCD00465461
PubChem SID
162085809
PubChem CID
544636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 544636 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.330892  LogD (pH = 7.4) 0.330892 
Log P 0.330892  Molar Refractivity 34.344 cm3
Polarizability 12.718796 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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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