[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene

C11H5ClF8 — CID 23235181

IUPAC[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene
SMILESF/C(Cl)=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF8/c12-8(13)7(6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h1-5H/b8-7-
InChIKeyJHKSVESPNJDFNC-FPLPWBNLSA-N
MW324.60 g/mol
LogP5.40
Rot. Bonds3

About [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene

[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene (PubChem CID 23235181) has the molecular formula C11H5ClF8 and a molecular weight of 324.60 g/mol. Its IUPAC name is [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene
PubChem CID23235181
Molecular FormulaC11H5ClF8
Molecular Weight324.60 g/mol
Exact Mass324.00
IUPAC Name[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene
SMILESF/C(Cl)=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5ClF8/c12-8(13)7(6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h1-5H/b8-7-
InChIKeyJHKSVESPNJDFNC-FPLPWBNLSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
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CID 12566937
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CID 10825346
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CID 173089080
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Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene?
The IUPAC name of [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene (CID 23235181) is [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene is F/C(Cl)=C(/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene?
The InChIKey is JHKSVESPNJDFNC-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H5ClF8/c12-8(13)7(6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h1-5H/b8-7-.
What are the key properties of [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene?
[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene has a molecular weight of 324.60 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene is sourced from PubChem (CID 23235181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).