1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate

C14H16F6NP — CID 19887704

IUPAC1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate
SMILESCC(C)(c1ccccc1)[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H16N.F6P/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15;1-7(2,3,4,5)6/h3-12H,1-2H3;/q+1;-1
InChIKeyXMYCLUCOHHFWSE-UHFFFAOYSA-N
MW343.25 g/mol
LogP6.14
Rot. Bonds2

About 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate

1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate (PubChem CID 19887704) has the molecular formula C14H16F6NP and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate
PubChem CID19887704
Molecular FormulaC14H16F6NP
Molecular Weight343.25 g/mol
Exact Mass343.09
IUPAC Name1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate
SMILESCC(C)(c1ccccc1)[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H16N.F6P/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15;1-7(2,3,4,5)6/h3-12H,1-2H3;/q+1;-1
InChIKeyXMYCLUCOHHFWSE-UHFFFAOYSA-N
XLogP6.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-bromo-1-phenylethyl)benzene
CID 19019197
1,1-difluoroethylbenzene
CID 10942535
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1,3-bis(2-phenylpropan-2-yl)imidazol-1-ium formate
CID 167431278
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
3-methyl-1-tritylpyridin-1-ium tetrafluoroborate
CID 12870762
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate?
The IUPAC name of 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate (CID 19887704) is 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate?
The canonical SMILES for 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate is CC(C)(c1ccccc1)[n+]1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate?
The InChIKey is XMYCLUCOHHFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N.F6P/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15;1-7(2,3,4,5)6/h3-12H,1-2H3;/q+1;-1.
What are the key properties of 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate?
1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate has a molecular weight of 343.25 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate is sourced from PubChem (CID 19887704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).