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3824-97-3 molecular structure
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1,2,3-trichloro-3,4,4,5,5-pentafluorocyclopent-1-ene

ChemBase ID: 98563
Molecular Formular: C5Cl3F5
Molecular Mass: 261.404516
Monoisotopic Mass: 259.89857414
SMILES and InChIs

SMILES:
ClC1=C(Cl)C(F)(C(C1(F)F)(F)F)Cl
Canonical SMILES:
ClC1=C(Cl)C(C(C1(F)F)(F)F)(F)Cl
InChI:
InChI=1S/C5Cl3F5/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey:
JMTPGSMYAMXWBK-UHFFFAOYSA-N

Cite this record

CBID:98563 http://www.chembase.cn/molecule-98563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3-trichloro-3,4,4,5,5-pentafluorocyclopent-1-ene
IUPAC Traditional name
1,2,3-trichloro-3,4,4,5,5-pentafluorocyclopent-1-ene
Synonyms
3,4,4,5,5-Pentafluoro-1,2,3-trichlorocyclopentene
Perfluoro(1,2,3-trichlorocyclopent-1-ene)
CAS Number
3824-97-3
PubChem SID
162084969
PubChem CID
11230761

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 11230761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5360973  LogD (pH = 7.4) 3.5360973 
Log P 3.5360973  Molar Refractivity 38.6735 cm3
Polarizability 14.547485 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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