10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

C11H10F6O4 — CID 58925470

IUPAC10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESO=C1CC2OC3OC(C(C(F)(F)F)C(F)(F)F)CC3C2O1
InChIInChI=1S/C11H10F6O4/c12-10(13,14)8(11(15,16)17)5-1-3-7-4(2-6(18)21-7)19-9(3)20-5/h3-5,7-9H,1-2H2
InChIKeyAFTLAGQDLBJUJR-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.17
Rot. Bonds1

About 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one

10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (PubChem CID 58925470) has the molecular formula C11H10F6O4 and a molecular weight of 320.19 g/mol. Its IUPAC name is 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.

Molecular Properties

Compound Name10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
PubChem CID58925470
Molecular FormulaC11H10F6O4
Molecular Weight320.19 g/mol
Exact Mass320.05
IUPAC Name10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one
SMILESO=C1CC2OC3OC(C(C(F)(F)F)C(F)(F)F)CC3C2O1
InChIInChI=1S/C11H10F6O4/c12-10(13,14)8(11(15,16)17)5-1-3-7-4(2-6(18)21-7)19-9(3)20-5/h3-5,7-9H,1-2H2
InChIKeyAFTLAGQDLBJUJR-UHFFFAOYSA-N
XLogP2.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The IUPAC name of 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one (CID 58925470) is 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one.
What is the SMILES notation for 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The canonical SMILES for 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is O=C1CC2OC3OC(C(C(F)(F)F)C(F)(F)F)CC3C2O1.
What is the InChIKey of 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
The InChIKey is AFTLAGQDLBJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O4/c12-10(13,14)8(11(15,16)17)5-1-3-7-4(2-6(18)21-7)19-9(3)20-5/h3-5,7-9H,1-2H2.
What are the key properties of 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one?
10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one has a molecular weight of 320.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-one is sourced from PubChem (CID 58925470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).