2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H10F6O2 — CID 20873006

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(OC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2
InChIKeyCTRNMUQSFZVIJE-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.78
Rot. Bonds2

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

2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20873006) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20873006
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(OC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2
InChIKeyCTRNMUQSFZVIJE-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20873006) is 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(OC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CTRNMUQSFZVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 276.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20873006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).