1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene

C13H8F10O2 — CID 14618898

IUPAC1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene
SMILESC=Cc1cccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C13H8F10O2/c1-2-7-4-3-5-8(6-7)24-10(15,16)9(14)25-13(22,23)11(17,18)12(19,20)21/h2-6,9H,1H2
InChIKeyLLNVBLQWKUBBSO-UHFFFAOYSA-N
MW386.19 g/mol
LogP5.40
Rot. Bonds7

About 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene

1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene (PubChem CID 14618898) has the molecular formula C13H8F10O2 and a molecular weight of 386.19 g/mol. Its IUPAC name is 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene
PubChem CID14618898
Molecular FormulaC13H8F10O2
Molecular Weight386.19 g/mol
Exact Mass386.04
IUPAC Name1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene
SMILESC=Cc1cccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C13H8F10O2/c1-2-7-4-3-5-8(6-7)24-10(15,16)9(14)25-13(22,23)11(17,18)12(19,20)21/h2-6,9H,1H2
InChIKeyLLNVBLQWKUBBSO-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.19
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene?
The IUPAC name of 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene (CID 14618898) is 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene.
What is the SMILES notation for 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene?
The canonical SMILES for 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene is C=Cc1cccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene?
The InChIKey is LLNVBLQWKUBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F10O2/c1-2-7-4-3-5-8(6-7)24-10(15,16)9(14)25-13(22,23)11(17,18)12(19,20)21/h2-6,9H,1H2.
What are the key properties of 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene?
1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene has a molecular weight of 386.19 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene is sourced from PubChem (CID 14618898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).