dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium

C13H19F3N+ — CID 162747547

IUPACdimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESCC(C)[N+](C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N/c1-10(2)17(3,4)9-11-5-7-12(8-6-11)13(14,15)16/h5-8,10H,9H2,1-4H3/q+1
InChIKeyVEGXEYIPTYPNDP-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.69
Rot. Bonds3

About dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium

dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 162747547) has the molecular formula C13H19F3N+ and a molecular weight of 246.30 g/mol. Its IUPAC name is dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID162747547
Molecular FormulaC13H19F3N+
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Namedimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESCC(C)[N+](C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H19F3N/c1-10(2)17(3,4)9-11-5-7-12(8-6-11)13(14,15)16/h5-8,10H,9H2,1-4H3/q+1
InChIKeyVEGXEYIPTYPNDP-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
(2-hydroxy-1,2-dinaphthalen-2-ylethyl)-dimethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium chloride
CID 139950618
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
CID 87141209
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
1-[2-(1-chloroethyl)-3-methylbutyl]-4-(trifluoromethyl)benzene
CID 63472261
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567

Frequently Asked Questions

What is the IUPAC name of dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 162747547) is dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium is CC(C)[N+](C)(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is VEGXEYIPTYPNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N/c1-10(2)17(3,4)9-11-5-7-12(8-6-11)13(14,15)16/h5-8,10H,9H2,1-4H3/q+1.
What are the key properties of dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 246.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 162747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).