1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride

C16H25F — CID 69033861

IUPAC1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
SMILESCC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C.F
InChIInChI=1S/C16H24.FH/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8;/h1-8H3;1H
InChIKeyPHEMYRMAHDHLFZ-UHFFFAOYSA-N
MW236.37 g/mol
LogP4.26
Rot. Bonds

About 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride

1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride (PubChem CID 69033861) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
PubChem CID69033861
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
SMILESCC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C.F
InChIInChI=1S/C16H24.FH/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8;/h1-8H3;1H
InChIKeyPHEMYRMAHDHLFZ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride?
The IUPAC name of 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride (CID 69033861) is 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride?
The canonical SMILES for 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride is CC12C3(C)C4(C)C1(C)C1(C)C2(C)C3(C)C41C.F.
What is the InChIKey of 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride?
The InChIKey is PHEMYRMAHDHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.FH/c1-9-10(2)13(5)11(9,3)15(7)12(9,4)14(10,6)16(13,15)8;/h1-8H3;1H.
What are the key properties of 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride?
1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride has a molecular weight of 236.37 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride is sourced from PubChem (CID 69033861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).