2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane

C13H12F14O2 — CID 89321926

IUPAC2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
SMILESCCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H12F14O2/c1-2-5-28-7(9(15,12(22,23)24)13(25,26)27)4-3-6(29-7)8(14,10(16,17)18)11(19,20)21/h6H,2-5H2,1H3
InChIKeyUKSCTTHYUZZHKZ-UHFFFAOYSA-N
MW466.21 g/mol
LogP5.95
Rot. Bonds5

About 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane

2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane (PubChem CID 89321926) has the molecular formula C13H12F14O2 and a molecular weight of 466.21 g/mol. Its IUPAC name is 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane.

Molecular Properties

Compound Name2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
PubChem CID89321926
Molecular FormulaC13H12F14O2
Molecular Weight466.21 g/mol
Exact Mass466.06
IUPAC Name2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
SMILESCCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H12F14O2/c1-2-5-28-7(9(15,12(22,23)24)13(25,26)27)4-3-6(29-7)8(14,10(16,17)18)11(19,20)21/h6H,2-5H2,1H3
InChIKeyUKSCTTHYUZZHKZ-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.21
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane?
The IUPAC name of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane (CID 89321926) is 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane.
What is the SMILES notation for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane?
The canonical SMILES for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane is CCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane?
The InChIKey is UKSCTTHYUZZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F14O2/c1-2-5-28-7(9(15,12(22,23)24)13(25,26)27)4-3-6(29-7)8(14,10(16,17)18)11(19,20)21/h6H,2-5H2,1H3.
What are the key properties of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane?
2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane has a molecular weight of 466.21 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane is sourced from PubChem (CID 89321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).