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433-66-9 molecular structure
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1,1,2,3,3-pentafluoroprop-1-ene

ChemBase ID: 95501
Molecular Formular: C3HF5
Molecular Mass: 132.032056
Monoisotopic Mass: 131.99984113
SMILES and InChIs

SMILES:
FC(F)C(=C(F)F)F
Canonical SMILES:
FC(C(=C(F)F)F)F
InChI:
InChI=1S/C3HF5/c4-1(2(5)6)3(7)8/h2H
InChIKey:
NDMMKOCNFSTXRU-UHFFFAOYSA-N

Cite this record

CBID:95501 http://www.chembase.cn/molecule-95501.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,3,3-pentafluoroprop-1-ene
IUPAC Traditional name
1,1,2,3,3-pentafluoroprop-1-ene
Synonyms
1,1,2,3,3-Pentafluoropropene
3H-Perfluoroprop-1-ene 97%
CAS Number
433-66-9
MDL Number
MFCD07777211
PubChem SID
162082150
PubChem CID
594043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC3141 external link Add to cart Please log in.
Data Source Data ID
PubChem 594043 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.845398  H Acceptors
H Donor LogD (pH = 5.5) 1.3236808 
LogD (pH = 7.4) 1.3236808  Log P 1.3236808 
Molar Refractivity 26.9495 cm3 Polarizability 5.90844 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
-101.2°C expand Show data source
Boiling Point
1-2°C expand Show data source
Density
1.4607 expand Show data source
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC3141 external link
Cylinder - 1/4" NPT connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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