2-methyl-N-oxido-5-(trifluoromethyl)aniline

C8H7F3NO- — CID 176656270

IUPAC2-methyl-N-oxido-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1N[O-]
InChIInChI=1S/C8H7F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4,12H,1H3/q-1
InChIKeyYURNJJBIZZUMBN-UHFFFAOYSA-N
MW190.14 g/mol
LogP2.92
Rot. Bonds1

About 2-methyl-N-oxido-5-(trifluoromethyl)aniline

2-methyl-N-oxido-5-(trifluoromethyl)aniline (PubChem CID 176656270) has the molecular formula C8H7F3NO- and a molecular weight of 190.14 g/mol. Its IUPAC name is 2-methyl-N-oxido-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-oxido-5-(trifluoromethyl)aniline
PubChem CID176656270
Molecular FormulaC8H7F3NO-
Molecular Weight190.14 g/mol
Exact Mass190.05
IUPAC Name2-methyl-N-oxido-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1N[O-]
InChIInChI=1S/C8H7F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4,12H,1H3/q-1
InChIKeyYURNJJBIZZUMBN-UHFFFAOYSA-N
XLogP2.92
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
1-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 83086802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-oxido-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-oxido-5-(trifluoromethyl)aniline (CID 176656270) is 2-methyl-N-oxido-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-oxido-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-oxido-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1N[O-].
What is the InChIKey of 2-methyl-N-oxido-5-(trifluoromethyl)aniline?
The InChIKey is YURNJJBIZZUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4,12H,1H3/q-1.
What are the key properties of 2-methyl-N-oxido-5-(trifluoromethyl)aniline?
2-methyl-N-oxido-5-(trifluoromethyl)aniline has a molecular weight of 190.14 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-oxido-5-(trifluoromethyl)aniline is sourced from PubChem (CID 176656270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).