2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate

C12H18F6NOP — CID 159083135

IUPAC2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[H+].c1ccc(OCC2CCCCC2)nc1
InChIInChI=1S/C12H17NO.F6P/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12;1-7(2,3,4,5)6/h4-5,8-9,11H,1-3,6-7,10H2;/q;-1/p+1
InChIKeyYWFGHJGVERTVBT-UHFFFAOYSA-O
MW337.24 g/mol
LogP6.54
Rot. Bonds3

About 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate

2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate (PubChem CID 159083135) has the molecular formula C12H18F6NOP and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
PubChem CID159083135
Molecular FormulaC12H18F6NOP
Molecular Weight337.24 g/mol
Exact Mass337.10
IUPAC Name2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[H+].c1ccc(OCC2CCCCC2)nc1
InChIInChI=1S/C12H17NO.F6P/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12;1-7(2,3,4,5)6/h4-5,8-9,11H,1-3,6-7,10H2;/q;-1/p+1
InChIKeyYWFGHJGVERTVBT-UHFFFAOYSA-O
XLogP6.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.24
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate?
The IUPAC name of 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate (CID 159083135) is 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate.
What is the SMILES notation for 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate?
The canonical SMILES for 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[H+].c1ccc(OCC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate?
The InChIKey is YWFGHJGVERTVBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17NO.F6P/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12;1-7(2,3,4,5)6/h4-5,8-9,11H,1-3,6-7,10H2;/q;-1/p+1.
What are the key properties of 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate?
2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate has a molecular weight of 337.24 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate is sourced from PubChem (CID 159083135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).