Home > Compound List > Compound details
86884-13-1 molecular structure
click picture or here to close

1,1,1,3-tetrafluorobutane

ChemBase ID: 98441
Molecular Formular: C4H6F4
Molecular Mass: 130.0840528
Monoisotopic Mass: 130.04056307
SMILES and InChIs

SMILES:
FC(CC(F)(F)F)C
Canonical SMILES:
CC(CC(F)(F)F)F
InChI:
InChI=1S/C4H6F4/c1-3(5)2-4(6,7)8/h3H,2H2,1H3
InChIKey:
DFLXFUYFWQZKGT-UHFFFAOYSA-N

Cite this record

CBID:98441 http://www.chembase.cn/molecule-98441.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,3-tetrafluorobutane
IUPAC Traditional name
1,1,1,3-tetrafluorobutane
Synonyms
1,1,1,3-Tetrafluorobutane (HFC-374mfe) 97%
CAS Number
86884-13-1
PubChem SID
162084867
PubChem CID
15914919

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC5569 external link Add to cart Please log in.
Data Source Data ID
PubChem 15914919 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7812614  LogD (pH = 7.4) 1.7812614 
Log P 1.7812614  Molar Refractivity 20.8899 cm3
Polarizability 7.6806593 Å3 Polar Surface Area 0.0 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