5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

C11H5F5O2 — CID 155214364

IUPAC5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2(O)c3c(ccc(F)c31)C(F)(F)C2(F)F
InChIInChI=1S/C11H5F5O2/c12-5-2-1-4-8-7(5)6(17)3-9(8,18)11(15,16)10(4,13)14/h1-2,18H,3H2
InChIKeyAZPKIVSLBFDKDH-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.34
Rot. Bonds

About 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (PubChem CID 155214364) has the molecular formula C11H5F5O2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.

Molecular Properties

Compound Name5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
PubChem CID155214364
Molecular FormulaC11H5F5O2
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2(O)c3c(ccc(F)c31)C(F)(F)C2(F)F
InChIInChI=1S/C11H5F5O2/c12-5-2-1-4-8-7(5)6(17)3-9(8,18)11(15,16)10(4,13)14/h1-2,18H,3H2
InChIKeyAZPKIVSLBFDKDH-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The IUPAC name of 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (CID 155214364) is 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.
What is the SMILES notation for 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The canonical SMILES for 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is O=C1CC2(O)c3c(ccc(F)c31)C(F)(F)C2(F)F.
What is the InChIKey of 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The InChIKey is AZPKIVSLBFDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5O2/c12-5-2-1-4-8-7(5)6(17)3-9(8,18)11(15,16)10(4,13)14/h1-2,18H,3H2.
What are the key properties of 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one has a molecular weight of 264.15 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,10-pentafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is sourced from PubChem (CID 155214364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).