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64712-27-2 molecular structure
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1,1-dichloro-1,3,3,3-tetrafluoropropane

ChemBase ID: 11902
Molecular Formular: C3H2Cl2F4
Molecular Mass: 184.9475928
Monoisotopic Mass: 183.9469683
SMILES and InChIs

SMILES:
C(CC(F)(F)F)(Cl)(F)Cl
Canonical SMILES:
FC(CC(Cl)(Cl)F)(F)F
InChI:
InChI=1S/C3H2Cl2F4/c4-2(5,6)1-3(7,8)9/h1H2
InChIKey:
JBSUEXFKGWKQFC-UHFFFAOYSA-N

Cite this record

CBID:11902 http://www.chembase.cn/molecule-11902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-dichloro-1,3,3,3-tetrafluoropropane
IUPAC Traditional name
1,1-dichloro-1,3,3,3-tetrafluoropropane
Synonyms
1,1-Dichloro-1,3,3,3-tetrafluoropropane
CAS Number
64712-27-2
MDL Number
MFCD02184064
PubChem SID
160975209
PubChem CID
116662

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
008906 external link Add to cart Please log in.
Data Source Data ID
PubChem 116662 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5623114  LogD (pH = 7.4) 2.5623114 
Log P 2.5623114  Molar Refractivity 26.9906 cm3
Polarizability 9.986757 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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