1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane

C8H9F7O2 — CID 58057352

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane
SMILESC=CCOCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O2/c1-2-3-16-4-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2
InChIKeyGSCWCURAYAEBRV-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.00
Rot. Bonds7

About 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane (PubChem CID 58057352) has the molecular formula C8H9F7O2 and a molecular weight of 270.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane
PubChem CID58057352
Molecular FormulaC8H9F7O2
Molecular Weight270.14 g/mol
Exact Mass270.05
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane
SMILESC=CCOCCOC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O2/c1-2-3-16-4-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2
InChIKeyGSCWCURAYAEBRV-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane (CID 58057352) is 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane is C=CCOCCOC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane?
The InChIKey is GSCWCURAYAEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O2/c1-2-3-16-4-5-17-8(14,15)6(9,10)7(11,12)13/h2H,1,3-5H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane has a molecular weight of 270.14 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(2-prop-2-enoxyethoxy)propane is sourced from PubChem (CID 58057352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).