Home > Compound List > Compound details
4556-24-5 molecular structure
click picture or here to close

1,1,3,3-tetrafluoroprop-1-ene

ChemBase ID: 94730
Molecular Formular: C3H2F4
Molecular Mass: 114.0415928
Monoisotopic Mass: 114.00926294
SMILES and InChIs

SMILES:
FC(=CC(F)F)F
Canonical SMILES:
FC(C=C(F)F)F
InChI:
InChI=1S/C3H2F4/c4-2(5)1-3(6)7/h1-2H
InChIKey:
BNYODXFAOQCIIO-UHFFFAOYSA-N

Cite this record

CBID:94730 http://www.chembase.cn/molecule-94730.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,3,3-tetrafluoroprop-1-ene
IUPAC Traditional name
1,1,3,3-tetrafluoroprop-1-ene
Synonyms
1,1,3,3-Tetrafluoroprop-1-ene
CAS Number
4556-24-5
MDL Number
MFCD08457545
PubChem SID
162081384
PubChem CID
21731865

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC2258 external link Add to cart Please log in.
Data Source Data ID
PubChem 21731865 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5482605  LogD (pH = 7.4) 1.5482605 
Log P 1.5482605  Molar Refractivity 26.8217 cm3
Polarizability 5.7625413 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable/Harmful expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC2258 external link
Cylinder - 1/4" NPT connection

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