1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane

C8H8F8O2 — CID 91112928

IUPAC1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane
SMILESC=COCC(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F8O2/c1-2-17-3-5(8(14,15)16)18-7(12,13)4-6(9,10)11/h2,5H,1,3-4H2
InChIKeyCZDWHSJQRWBKRP-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.64
Rot. Bonds6

About 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane

1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane (PubChem CID 91112928) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane
PubChem CID91112928
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane
SMILESC=COCC(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F8O2/c1-2-17-3-5(8(14,15)16)18-7(12,13)4-6(9,10)11/h2,5H,1,3-4H2
InChIKeyCZDWHSJQRWBKRP-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane (CID 91112928) is 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane is C=COCC(OC(F)(F)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane?
The InChIKey is CZDWHSJQRWBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c1-2-17-3-5(8(14,15)16)18-7(12,13)4-6(9,10)11/h2,5H,1,3-4H2.
What are the key properties of 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane?
1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane has a molecular weight of 288.13 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenoxy-1,1,1-trifluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 91112928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).