ethyl-dimethyl-phenylazanium hexafluorophosphate

C10H16F6NP — CID 139243460

IUPACethyl-dimethyl-phenylazanium hexafluorophosphate
SMILESCC[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H16N.F6P/c1-4-11(2,3)10-8-6-5-7-9-10;1-7(2,3,4,5)6/h5-9H,4H2,1-3H3;/q+1;-1
InChIKeyFDNHBVXBNKKMFP-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.66
Rot. Bonds2

About ethyl-dimethyl-phenylazanium hexafluorophosphate

ethyl-dimethyl-phenylazanium hexafluorophosphate (PubChem CID 139243460) has the molecular formula C10H16F6NP and a molecular weight of 295.21 g/mol. Its IUPAC name is ethyl-dimethyl-phenylazanium hexafluorophosphate.

Molecular Properties

Compound Nameethyl-dimethyl-phenylazanium hexafluorophosphate
PubChem CID139243460
Molecular FormulaC10H16F6NP
Molecular Weight295.21 g/mol
Exact Mass295.09
IUPAC Nameethyl-dimethyl-phenylazanium hexafluorophosphate
SMILESCC[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H16N.F6P/c1-4-11(2,3)10-8-6-5-7-9-10;1-7(2,3,4,5)6/h5-9H,4H2,1-3H3;/q+1;-1
InChIKeyFDNHBVXBNKKMFP-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-phenylazanium hexafluorophosphate?
The IUPAC name of ethyl-dimethyl-phenylazanium hexafluorophosphate (CID 139243460) is ethyl-dimethyl-phenylazanium hexafluorophosphate.
What is the SMILES notation for ethyl-dimethyl-phenylazanium hexafluorophosphate?
The canonical SMILES for ethyl-dimethyl-phenylazanium hexafluorophosphate is CC[N+](C)(C)c1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of ethyl-dimethyl-phenylazanium hexafluorophosphate?
The InChIKey is FDNHBVXBNKKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.F6P/c1-4-11(2,3)10-8-6-5-7-9-10;1-7(2,3,4,5)6/h5-9H,4H2,1-3H3;/q+1;-1.
What are the key properties of ethyl-dimethyl-phenylazanium hexafluorophosphate?
ethyl-dimethyl-phenylazanium hexafluorophosphate has a molecular weight of 295.21 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-phenylazanium hexafluorophosphate is sourced from PubChem (CID 139243460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).