actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H12AcF6O — CID 21360389

IUPACactinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.[Ac]
InChIInChI=1S/C11H12F6O.Ac/c12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;/h1-2,6-8,18H,3-5H2;
InChIKeyCDJXYYSEEDAVJV-UHFFFAOYSA-N
MW501.20 g/mol
LogP3.44
Rot. Bonds2

About actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21360389) has the molecular formula C11H12AcF6O and a molecular weight of 501.20 g/mol. Its IUPAC name is actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Nameactinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21360389
Molecular FormulaC11H12AcF6O
Molecular Weight501.20 g/mol
Exact Mass501.11
IUPAC Nameactinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.[Ac]
InChIInChI=1S/C11H12F6O.Ac/c12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;/h1-2,6-8,18H,3-5H2;
InChIKeyCDJXYYSEEDAVJV-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21360389) is actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.[Ac].
What is the InChIKey of actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CDJXYYSEEDAVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O.Ac/c12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;/h1-2,6-8,18H,3-5H2;.
What are the key properties of actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 501.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21360389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).