Home > Compound List > Compound details
812-30-6 molecular structure
click picture or here to close

1,1,2-trichloro-1,3,3,3-tetrafluoropropane

ChemBase ID: 12148
Molecular Formular: C3HCl3F4
Molecular Mass: 219.3926528
Monoisotopic Mass: 217.90799595
SMILES and InChIs

SMILES:
C(C(C(F)(F)F)Cl)(Cl)(Cl)F
Canonical SMILES:
ClC(C(Cl)(Cl)F)C(F)(F)F
InChI:
InChI=1S/C3HCl3F4/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKey:
WFHFXEYKXJKYMG-UHFFFAOYSA-N

Cite this record

CBID:12148 http://www.chembase.cn/molecule-12148.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2-trichloro-1,3,3,3-tetrafluoropropane
IUPAC Traditional name
1,1,2-trichloro-1,3,3,3-tetrafluoropropane
Synonyms
1,1,2-Trichloro-1,3,3,3-tetrafluoropropane
CAS Number
812-30-6
MDL Number
MFCD04038362
PubChem SID
160975455
PubChem CID
2782428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
009180 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.119446  H Acceptors
H Donor LogD (pH = 5.5) 3.2193475 
LogD (pH = 7.4) 3.2193475  Log P 3.2193475 
Molar Refractivity 31.5523 cm3 Polarizability 11.970508 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
87-87.3°C expand Show data source
Density
1.617 expand Show data source
Storage Warning
OZONE DEPLETER expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% 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