2-methyl-3-(trifluoromethyl)aniline

C8H8F3N — CID 2735932

IUPAC2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cccc1C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3
InChIKeyTWLDBACVSHADLI-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.60
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)aniline

2-methyl-3-(trifluoromethyl)aniline (PubChem CID 2735932) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)aniline
PubChem CID2735932
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2-methyl-3-(trifluoromethyl)aniline
SMILESCc1c(N)cccc1C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3
InChIKeyTWLDBACVSHADLI-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-3-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-3-(trifluoromethyl)aniline (CID 2735932) is 2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)aniline is Cc1c(N)cccc1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is TWLDBACVSHADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)aniline?
2-methyl-3-(trifluoromethyl)aniline has a molecular weight of 175.15 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 2735932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).