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

C15H12F6N+ — CID 101373998

IUPAC[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccc(C[NH2+]c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-3-1-10(2-4-11)9-22-13-7-5-12(6-8-13)15(19,20)21/h1-8,22H,9H2/p+1
InChIKeyZBLMCIWIFLHUCE-UHFFFAOYSA-O
MW320.26 g/mol
LogP4.12
Rot. Bonds3

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

[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 101373998) has the molecular formula C15H12F6N+ and a molecular weight of 320.26 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID101373998
Molecular FormulaC15H12F6N+
Molecular Weight320.26 g/mol
Exact Mass320.09
IUPAC Name[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccc(C[NH2+]c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-3-1-10(2-4-11)9-22-13-7-5-12(6-8-13)15(19,20)21/h1-8,22H,9H2/p+1
InChIKeyZBLMCIWIFLHUCE-UHFFFAOYSA-O
XLogP4.12
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate
CID 53342060
tris(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene);bis(trifluoromethanesulfonate);bis([4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium)
CID 139039725
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
CID 173105790

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 101373998) is [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium is FC(F)(F)c1ccc(C[NH2+]c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is ZBLMCIWIFLHUCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11F6N/c16-14(17,18)11-3-1-10(2-4-11)9-22-13-7-5-12(6-8-13)15(19,20)21/h1-8,22H,9H2/p+1.
What are the key properties of [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium?
[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 320.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 101373998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).