1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol

C15H16F6O — CID 20617087

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol
SMILESOC(C1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H16F6O/c16-14(17,18)13(22,15(19,20)21)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12,22H,3-5H2
InChIKeyQLGSAWNUZMOCHJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.94
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol (PubChem CID 20617087) has the molecular formula C15H16F6O and a molecular weight of 326.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol
PubChem CID20617087
Molecular FormulaC15H16F6O
Molecular Weight326.28 g/mol
Exact Mass326.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol
SMILESOC(C1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H16F6O/c16-14(17,18)13(22,15(19,20)21)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12,22H,3-5H2
InChIKeyQLGSAWNUZMOCHJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol (CID 20617087) is 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol is OC(C1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol?
The InChIKey is QLGSAWNUZMOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6O/c16-14(17,18)13(22,15(19,20)21)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12,22H,3-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol has a molecular weight of 326.28 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-ol is sourced from PubChem (CID 20617087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).