Home > Compound List > Compound details
153614-61-0 molecular structure
click picture or here to close

(pentafluorophenyl)methyl prop-2-enoate

ChemBase ID: 98424
Molecular Formular: C10H5F5O2
Molecular Mass: 252.137516
Monoisotopic Mass: 252.0209705
SMILES and InChIs

SMILES:
Fc1c(c(c(c(c1F)F)F)F)COC(=O)C=C
Canonical SMILES:
C=CC(=O)OCc1c(F)c(F)c(c(c1F)F)F
InChI:
InChI=1S/C10H5F5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
InChIKey:
FSMJGUSJTKJBAD-UHFFFAOYSA-N

Cite this record

CBID:98424 http://www.chembase.cn/molecule-98424.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(pentafluorophenyl)methyl prop-2-enoate
IUPAC Traditional name
(pentafluorophenyl)methyl prop-2-enoate
Synonyms
Pentafluorobenzyl prop-2-enoate
Pentafluorobenzyl acrylate 97%
CAS Number
153614-61-0
MDL Number
MFCD00042328
PubChem SID
162084856
PubChem CID
2775925

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC5537 external link Add to cart Please log in.
Data Source Data ID
PubChem 2775925 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3501575  LogD (pH = 7.4) 3.3501575 
Log P 3.3501575  Molar Refractivity 47.7551 cm3
Polarizability 17.327854 Å3 Polar Surface Area 26.3 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

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