2-methyl-4-(trifluoromethoxy)aniline

C8H8F3NO — CID 2775546

IUPAC2-methyl-4-(trifluoromethoxy)aniline
SMILESCc1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKeyIIDBMILLZRYZCH-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.48
Rot. Bonds1

About 2-methyl-4-(trifluoromethoxy)aniline

2-methyl-4-(trifluoromethoxy)aniline (PubChem CID 2775546) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethoxy)aniline
PubChem CID2775546
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2-methyl-4-(trifluoromethoxy)aniline
SMILESCc1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
InChIKeyIIDBMILLZRYZCH-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-methyl-4-(trifluoromethoxy)aniline (CID 2775546) is 2-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-methyl-4-(trifluoromethoxy)aniline is Cc1cc(OC(F)(F)F)ccc1N.
What is the InChIKey of 2-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is IIDBMILLZRYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethoxy)aniline?
2-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 2775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).