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MFCD01320793 molecular structure
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2-(2,3,3-trifluoroprop-2-en-1-yl)oxirane

ChemBase ID: 100514
Molecular Formular: C5H5F3O
Molecular Mass: 138.0878096
Monoisotopic Mass: 138.02924944
SMILES and InChIs

SMILES:
O1C(C1)CC(=C(F)F)F
Canonical SMILES:
FC(=C(F)F)CC1OC1
InChI:
InChI=1S/C5H5F3O/c6-4(5(7)8)1-3-2-9-3/h3H,1-2H2
InChIKey:
KDYHEWWVSSJQHV-UHFFFAOYSA-N

Cite this record

CBID:100514 http://www.chembase.cn/molecule-100514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,3,3-trifluoroprop-2-en-1-yl)oxirane
IUPAC Traditional name
2-(2,3,3-trifluoroprop-2-en-1-yl)oxirane
Synonyms
4,5-Epoxy-1,1,2-trifluoropent-1-ene
3-(Trifluorovinyl)-1,2-propenoxide
MDL Number
MFCD01320793
PubChem SID
162086640
PubChem CID
2778014

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 2778014 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7585714  LogD (pH = 7.4) 0.7585714 
Log P 0.7585714  Molar Refractivity 35.9992 cm3
Polarizability 9.301026 Å3 Polar Surface Area 12.53 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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