bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate

C16H14F12NP — CID 53342060

IUPACbis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate
SMILESFC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13F6N.F6P/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22;1-7(2,3,4,5)6/h1-8,23H,9-10H2;/q;-1/p+1
InChIKeyNBPYXKHWZYAYFD-UHFFFAOYSA-O
MW479.25 g/mol
LogP7.37
Rot. Bonds4

About bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate

bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate (PubChem CID 53342060) has the molecular formula C16H14F12NP and a molecular weight of 479.25 g/mol. Its IUPAC name is bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate.

Molecular Properties

Compound Namebis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate
PubChem CID53342060
Molecular FormulaC16H14F12NP
Molecular Weight479.25 g/mol
Exact Mass479.07
IUPAC Namebis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate
SMILESFC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C16H13F6N.F6P/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22;1-7(2,3,4,5)6/h1-8,23H,9-10H2;/q;-1/p+1
InChIKeyNBPYXKHWZYAYFD-UHFFFAOYSA-O
XLogP7.37
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.25
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 101373998
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
CID 173105790
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
CID 87141209

Frequently Asked Questions

What is the IUPAC name of bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate?
The IUPAC name of bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate (CID 53342060) is bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate.
What is the SMILES notation for bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate?
The canonical SMILES for bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate is FC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate?
The InChIKey is NBPYXKHWZYAYFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13F6N.F6P/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22;1-7(2,3,4,5)6/h1-8,23H,9-10H2;/q;-1/p+1.
What are the key properties of bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate?
bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate has a molecular weight of 479.25 g/mol, XLogP of 7.37, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate is sourced from PubChem (CID 53342060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).