(4-methoxyphenyl)methanediazonium hexafluorophosphate

C8H9F6N2OP — CID 175433596

IUPAC(4-methoxyphenyl)methanediazonium hexafluorophosphate
SMILESCOc1ccc(C[N+]#N)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H9N2O.F6P/c1-11-8-4-2-7(3-5-8)6-10-9;1-7(2,3,4,5)6/h2-5H,6H2,1H3;/q+1;-1
InChIKeyWLBJQHMPFWFNBV-UHFFFAOYSA-N
MW294.14 g/mol
LogP5.43
Rot. Bonds2

About (4-methoxyphenyl)methanediazonium hexafluorophosphate

(4-methoxyphenyl)methanediazonium hexafluorophosphate (PubChem CID 175433596) has the molecular formula C8H9F6N2OP and a molecular weight of 294.14 g/mol. Its IUPAC name is (4-methoxyphenyl)methanediazonium hexafluorophosphate.

Molecular Properties

Compound Name(4-methoxyphenyl)methanediazonium hexafluorophosphate
PubChem CID175433596
Molecular FormulaC8H9F6N2OP
Molecular Weight294.14 g/mol
Exact Mass294.04
IUPAC Name(4-methoxyphenyl)methanediazonium hexafluorophosphate
SMILESCOc1ccc(C[N+]#N)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H9N2O.F6P/c1-11-8-4-2-7(3-5-8)6-10-9;1-7(2,3,4,5)6/h2-5H,6H2,1H3;/q+1;-1
InChIKeyWLBJQHMPFWFNBV-UHFFFAOYSA-N
XLogP5.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.14
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
(4-methoxyphenyl)methanol
CID 7738
CID 175604529
CID 175604529
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methanediazonium hexafluorophosphate?
The IUPAC name of (4-methoxyphenyl)methanediazonium hexafluorophosphate (CID 175433596) is (4-methoxyphenyl)methanediazonium hexafluorophosphate.
What is the SMILES notation for (4-methoxyphenyl)methanediazonium hexafluorophosphate?
The canonical SMILES for (4-methoxyphenyl)methanediazonium hexafluorophosphate is COc1ccc(C[N+]#N)cc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of (4-methoxyphenyl)methanediazonium hexafluorophosphate?
The InChIKey is WLBJQHMPFWFNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O.F6P/c1-11-8-4-2-7(3-5-8)6-10-9;1-7(2,3,4,5)6/h2-5H,6H2,1H3;/q+1;-1.
What are the key properties of (4-methoxyphenyl)methanediazonium hexafluorophosphate?
(4-methoxyphenyl)methanediazonium hexafluorophosphate has a molecular weight of 294.14 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methanediazonium hexafluorophosphate is sourced from PubChem (CID 175433596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).