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

C11H8F2O2 — CID 162619039

IUPAC5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2(O)c3c(cccc31)CC2(F)F
InChIInChI=1S/C11H8F2O2/c12-11(13)4-6-2-1-3-7-8(14)5-10(11,15)9(6)7/h1-3,15H,4-5H2
InChIKeyFYYYXZMSODIGRL-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.65
Rot. Bonds

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

5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (PubChem CID 162619039) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.

Molecular Properties

Compound Name5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
PubChem CID162619039
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2(O)c3c(cccc31)CC2(F)F
InChIInChI=1S/C11H8F2O2/c12-11(13)4-6-2-1-3-7-8(14)5-10(11,15)9(6)7/h1-3,15H,4-5H2
InChIKeyFYYYXZMSODIGRL-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The IUPAC name of 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (CID 162619039) is 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.
What is the SMILES notation for 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The canonical SMILES for 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is O=C1CC2(O)c3c(cccc31)CC2(F)F.
What is the InChIKey of 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The InChIKey is FYYYXZMSODIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c12-11(13)4-6-2-1-3-7-8(14)5-10(11,15)9(6)7/h1-3,15H,4-5H2.
What are the key properties of 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one has a molecular weight of 210.18 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-hydroxytricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is sourced from PubChem (CID 162619039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).