Home > Compound List > Compound details
1524-54-5 molecular structure
click picture or here to close

3-(2,2,2-trifluoroethoxy)prop-1-ene

ChemBase ID: 11810
Molecular Formular: C5H7F3O
Molecular Mass: 140.1036896
Monoisotopic Mass: 140.0448995
SMILES and InChIs

SMILES:
O(CC(F)(F)F)CC=C
Canonical SMILES:
C=CCOCC(F)(F)F
InChI:
InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
InChIKey:
NOTCQEKRIPQPAW-UHFFFAOYSA-N

Cite this record

CBID:11810 http://www.chembase.cn/molecule-11810.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2,2,2-trifluoroethoxy)prop-1-ene
IUPAC Traditional name
3-(2,2,2-trifluoroethoxy)prop-1-ene
Synonyms
Allyl 2,2,2-trifluoroethyl ether
3-(2,2,2-trifluoroethoxy)prop-1-ene
CAS Number
1524-54-5
MDL Number
MFCD01727348
PubChem SID
160975117
PubChem CID
15208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8108954  LogD (pH = 7.4) 1.8108954 
Log P 1.8108954  Molar Refractivity 27.6253 cm3
Polarizability 9.942092 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
54-57°C expand Show data source
54-59°C expand Show data source
Hydrophobicity(logP)
1.874 expand Show data source
Storage Warning
Flammable expand Show data source
IRRITANT, FLAMMABLE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC3892 external link
Photo affinity label

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle