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

C9H11F3N+ — CID 6932642

IUPACmethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH2+]Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3/p+1
InChIKeyYMSMEZAYZIYFGA-UHFFFAOYSA-O
MW190.19 g/mol
LogP1.40
Rot. Bonds2

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

methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 6932642) has the molecular formula C9H11F3N+ and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID6932642
Molecular FormulaC9H11F3N+
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESC[NH2+]Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3/p+1
InChIKeyYMSMEZAYZIYFGA-UHFFFAOYSA-O
XLogP1.40
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 6932642) is methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is C[NH2+]Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is YMSMEZAYZIYFGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3/p+1.
What are the key properties of methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 190.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 6932642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).