2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane

C13H14F12O2 — CID 89321927

IUPAC2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane
SMILESCCOC1(C(F)(C(C)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H14F12O2/c1-3-26-8(9(15,6(2)14)11(17,18)19)5-4-7(27-8)10(16,12(20,21)22)13(23,24)25/h6-7H,3-5H2,1-2H3
InChIKeyPVDCAZKNJWOBPM-UHFFFAOYSA-N
MW430.23 g/mol
LogP5.36
Rot. Bonds5

About 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane

2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane (PubChem CID 89321927) has the molecular formula C13H14F12O2 and a molecular weight of 430.23 g/mol. Its IUPAC name is 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane.

Molecular Properties

Compound Name2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane
PubChem CID89321927
Molecular FormulaC13H14F12O2
Molecular Weight430.23 g/mol
Exact Mass430.08
IUPAC Name2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane
SMILESCCOC1(C(F)(C(C)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H14F12O2/c1-3-26-8(9(15,6(2)14)11(17,18)19)5-4-7(27-8)10(16,12(20,21)22)13(23,24)25/h6-7H,3-5H2,1-2H3
InChIKeyPVDCAZKNJWOBPM-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane?
The IUPAC name of 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane (CID 89321927) is 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane.
What is the SMILES notation for 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane?
The canonical SMILES for 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane is CCOC1(C(F)(C(C)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane?
The InChIKey is PVDCAZKNJWOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F12O2/c1-3-26-8(9(15,6(2)14)11(17,18)19)5-4-7(27-8)10(16,12(20,21)22)13(23,24)25/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane?
2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane has a molecular weight of 430.23 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,2,3-pentafluorobutan-2-yl)oxolane is sourced from PubChem (CID 89321927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).