4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

C9H6F6O5 — CID 58937630

IUPAC4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESO=C1CC2OC3OC(C(F)(F)F)(C(F)(F)F)OC3C2O1
InChIInChI=1S/C9H6F6O5/c10-8(11,12)7(9(13,14)15)19-5-4-2(1-3(16)18-4)17-6(5)20-7/h2,4-6H,1H2
InChIKeyQZGFBTAZCGCBGT-UHFFFAOYSA-N
MW308.13 g/mol
LogP1.26
Rot. Bonds

About 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (PubChem CID 58937630) has the molecular formula C9H6F6O5 and a molecular weight of 308.13 g/mol. Its IUPAC name is 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.

Molecular Properties

Compound Name4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
PubChem CID58937630
Molecular FormulaC9H6F6O5
Molecular Weight308.13 g/mol
Exact Mass308.01
IUPAC Name4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESO=C1CC2OC3OC(C(F)(F)F)(C(F)(F)F)OC3C2O1
InChIInChI=1S/C9H6F6O5/c10-8(11,12)7(9(13,14)15)19-5-4-2(1-3(16)18-4)17-6(5)20-7/h2,4-6H,1H2
InChIKeyQZGFBTAZCGCBGT-UHFFFAOYSA-N
XLogP1.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The IUPAC name of 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (CID 58937630) is 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.
What is the SMILES notation for 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The canonical SMILES for 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is O=C1CC2OC3OC(C(F)(F)F)(C(F)(F)F)OC3C2O1.
What is the InChIKey of 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The InChIKey is QZGFBTAZCGCBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O5/c10-8(11,12)7(9(13,14)15)19-5-4-2(1-3(16)18-4)17-6(5)20-7/h2,4-6H,1H2.
What are the key properties of 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one has a molecular weight of 308.13 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethyl)-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is sourced from PubChem (CID 58937630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).