2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane

C15H13F15O — CID 73106667

IUPAC2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2CCC1C2
InChIInChI=1S/C15H13F15O/c16-9(17,5-31-8-4-6-1-2-7(8)3-6)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h6-8H,1-5H2
InChIKeyFVQCXNBBSMOJIL-UHFFFAOYSA-N
MW494.24 g/mol
LogP6.57
Rot. Bonds8

About 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane

2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane (PubChem CID 73106667) has the molecular formula C15H13F15O and a molecular weight of 494.24 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane
PubChem CID73106667
Molecular FormulaC15H13F15O
Molecular Weight494.24 g/mol
Exact Mass494.07
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2CCC1C2
InChIInChI=1S/C15H13F15O/c16-9(17,5-31-8-4-6-1-2-7(8)3-6)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h6-8H,1-5H2
InChIKeyFVQCXNBBSMOJIL-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.24
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane (CID 73106667) is 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2CCC1C2.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane?
The InChIKey is FVQCXNBBSMOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F15O/c16-9(17,5-31-8-4-6-1-2-7(8)3-6)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h6-8H,1-5H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane?
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane has a molecular weight of 494.24 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 73106667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).