1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol

C11H12F6O2 — CID 20826539

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol
SMILESOC(CC1CC2CC1C1OC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O2/c12-10(13,14)9(18,11(15,16)17)3-5-1-4-2-6(5)8-7(4)19-8/h4-8,18H,1-3H2
InChIKeyXIRXSIRFCALNNS-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.66
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol (PubChem CID 20826539) has the molecular formula C11H12F6O2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol
PubChem CID20826539
Molecular FormulaC11H12F6O2
Molecular Weight290.20 g/mol
Exact Mass290.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol
SMILESOC(CC1CC2CC1C1OC21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O2/c12-10(13,14)9(18,11(15,16)17)3-5-1-4-2-6(5)8-7(4)19-8/h4-8,18H,1-3H2
InChIKeyXIRXSIRFCALNNS-UHFFFAOYSA-N
XLogP2.66
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol (CID 20826539) is 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol is OC(CC1CC2CC1C1OC21)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol?
The InChIKey is XIRXSIRFCALNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O2/c12-10(13,14)9(18,11(15,16)17)3-5-1-4-2-6(5)8-7(4)19-8/h4-8,18H,1-3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol has a molecular weight of 290.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(3-oxatricyclo[3.2.1.02,4]octan-6-ylmethyl)propan-2-ol is sourced from PubChem (CID 20826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).