1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene

C15H11F7O2 — CID 122554586

IUPAC1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC2=C(F)C(F)(F)C(F)(F)C2(F)F)c(OC)c1
InChIInChI=1S/C15H11F7O2/c1-3-4-8-5-6-9(10(7-8)23-2)24-12-11(16)13(17,18)15(21,22)14(12,19)20/h3,5-7H,1,4H2,2H3
InChIKeyJGQLOTDVKRYQEV-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.90
Rot. Bonds5

About 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene

1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene (PubChem CID 122554586) has the molecular formula C15H11F7O2 and a molecular weight of 356.24 g/mol. Its IUPAC name is 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene
PubChem CID122554586
Molecular FormulaC15H11F7O2
Molecular Weight356.24 g/mol
Exact Mass356.06
IUPAC Name1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC2=C(F)C(F)(F)C(F)(F)C2(F)F)c(OC)c1
InChIInChI=1S/C15H11F7O2/c1-3-4-8-5-6-9(10(7-8)23-2)24-12-11(16)13(17,18)15(21,22)14(12,19)20/h3,5-7H,1,4H2,2H3
InChIKeyJGQLOTDVKRYQEV-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
CID 67892589
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene (CID 122554586) is 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(OC2=C(F)C(F)(F)C(F)(F)C2(F)F)c(OC)c1.
What is the InChIKey of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is JGQLOTDVKRYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F7O2/c1-3-4-8-5-6-9(10(7-8)23-2)24-12-11(16)13(17,18)15(21,22)14(12,19)20/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene?
1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 356.24 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 122554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).