hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate

C13H14F6NOP — CID 162307739

IUPAChydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(CN1C=CC=CC1)c1ccccc1.[H+]
InChIInChI=1S/C13H13NO.F6P/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-9H,10-11H2;/q;-1/p+1
InChIKeyGFIFKHHJQPETMS-UHFFFAOYSA-O
MW345.22 g/mol
LogP5.75
Rot. Bonds3

About hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate

hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate (PubChem CID 162307739) has the molecular formula C13H14F6NOP and a molecular weight of 345.22 g/mol. Its IUPAC name is hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate.

Molecular Properties

Compound Namehydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate
PubChem CID162307739
Molecular FormulaC13H14F6NOP
Molecular Weight345.22 g/mol
Exact Mass345.07
IUPAC Namehydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C(CN1C=CC=CC1)c1ccccc1.[H+]
InChIInChI=1S/C13H13NO.F6P/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-9H,10-11H2;/q;-1/p+1
InChIKeyGFIFKHHJQPETMS-UHFFFAOYSA-O
XLogP5.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.75
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 hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate?
The IUPAC name of hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate (CID 162307739) is hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate.
What is the SMILES notation for hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate?
The canonical SMILES for hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C(CN1C=CC=CC1)c1ccccc1.[H+].
What is the InChIKey of hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate?
The InChIKey is GFIFKHHJQPETMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13NO.F6P/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-9H,10-11H2;/q;-1/p+1.
What are the key properties of hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate?
hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate has a molecular weight of 345.22 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-phenyl-2-(2H-pyridin-1-yl)ethanone;hexafluorophosphate is sourced from PubChem (CID 162307739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).