[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene

C9H5F5 — CID 12566937

IUPAC[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
SMILESF/C(=C(/F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H5F5/c10-7(8(11)9(12,13)14)6-4-2-1-3-5-6/h1-5H/b8-7+
InChIKeyKIWFVZHBXKNTGJ-BQYQJAHWSA-N
MW208.13 g/mol
LogP3.86
Rot. Bonds1

About [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene

[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene (PubChem CID 12566937) has the molecular formula C9H5F5 and a molecular weight of 208.13 g/mol. Its IUPAC name is [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
PubChem CID12566937
Molecular FormulaC9H5F5
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
SMILESF/C(=C(/F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H5F5/c10-7(8(11)9(12,13)14)6-4-2-1-3-5-6/h1-5H/b8-7+
InChIKeyKIWFVZHBXKNTGJ-BQYQJAHWSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
1-nitro-3-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 14067321
[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate
CID 14148864
(Z,1S)-2,3,4,4,4-pentafluoro-1-phenylbut-2-en-1-ol
CID 125477473
benzoic acid;zirconium
CID 173089080
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
(1,2-difluoro-2-phenylethenyl)-triphenylgermane
CID 5232980
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
CID 155935520

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene?
The IUPAC name of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene (CID 12566937) is [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene.
What is the SMILES notation for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene?
The canonical SMILES for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene is F/C(=C(/F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene?
The InChIKey is KIWFVZHBXKNTGJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H5F5/c10-7(8(11)9(12,13)14)6-4-2-1-3-5-6/h1-5H/b8-7+.
What are the key properties of [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene?
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene has a molecular weight of 208.13 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene is sourced from PubChem (CID 12566937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).