3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane

C11H4F18O2 — CID 87655646

IUPAC3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4F18O2/c1-30-7(5(15,10(24,25)26)11(27,28)29)6(16,17)4(13,14)2(31-7)3(12,8(18,19)20)9(21,22)23/h2H,1H3
InChIKeyQMNFXPVNVFCSRL-UHFFFAOYSA-N
MW510.12 g/mol
LogP5.66
Rot. Bonds3

About 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane

3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane (PubChem CID 87655646) has the molecular formula C11H4F18O2 and a molecular weight of 510.12 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
PubChem CID87655646
Molecular FormulaC11H4F18O2
Molecular Weight510.12 g/mol
Exact Mass509.99
IUPAC Name3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4F18O2/c1-30-7(5(15,10(24,25)26)11(27,28)29)6(16,17)4(13,14)2(31-7)3(12,8(18,19)20)9(21,22)23/h2H,1H3
InChIKeyQMNFXPVNVFCSRL-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.12
LogP ≤ 55.66
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 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The IUPAC name of 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane (CID 87655646) is 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane.
What is the SMILES notation for 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The canonical SMILES for 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane is COC1(C(F)(C(F)(F)F)C(F)(F)F)OC(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The InChIKey is QMNFXPVNVFCSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F18O2/c1-30-7(5(15,10(24,25)26)11(27,28)29)6(16,17)4(13,14)2(31-7)3(12,8(18,19)20)9(21,22)23/h2H,1H3.
What are the key properties of 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane has a molecular weight of 510.12 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane is sourced from PubChem (CID 87655646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).