3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

C11H3F7O2 — CID 155214336

IUPAC3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1c2c(F)ccc3c2C(O)(C1(F)F)C(F)(F)C3(F)F
InChIInChI=1S/C11H3F7O2/c12-4-2-1-3-6-5(4)7(19)10(15,16)8(6,20)11(17,18)9(3,13)14/h1-2,20H
InChIKeyCDECQPJQBYLCBH-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.59
Rot. Bonds

About 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (PubChem CID 155214336) has the molecular formula C11H3F7O2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.

Molecular Properties

Compound Name3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
PubChem CID155214336
Molecular FormulaC11H3F7O2
Molecular Weight300.13 g/mol
Exact Mass300.00
IUPAC Name3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1c2c(F)ccc3c2C(O)(C1(F)F)C(F)(F)C3(F)F
InChIInChI=1S/C11H3F7O2/c12-4-2-1-3-6-5(4)7(19)10(15,16)8(6,20)11(17,18)9(3,13)14/h1-2,20H
InChIKeyCDECQPJQBYLCBH-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.59
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 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The IUPAC name of 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (CID 155214336) is 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.
What is the SMILES notation for 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The canonical SMILES for 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is O=C1c2c(F)ccc3c2C(O)(C1(F)F)C(F)(F)C3(F)F.
What is the InChIKey of 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The InChIKey is CDECQPJQBYLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F7O2/c12-4-2-1-3-6-5(4)7(19)10(15,16)8(6,20)11(17,18)9(3,13)14/h1-2,20H.
What are the key properties of 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,6,6,10-heptafluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is sourced from PubChem (CID 155214336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).