2-bromo-3-methyl-6-(trifluoromethyl)aniline

Name: 2-bromo-3-methyl-6-(trifluoromethyl)aniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₇BrF₃N — CID 131143888

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-bromo-3-methyl-6-(trifluoromethyl)aniline

SMILESCc1ccc(C(F)(F)F)c(N)c1Br

InChIInChI=1S/C8H7BrF3N/c1-4-2-3-5(8(10,11)12)7(13)6(4)9/h2-3H,13H2,1H3

InChIKeyDRCWIPGWAIFSMG-UHFFFAOYSA-N

MW254.05 g/mol

LogP3.36

Rot. Bonds

About 2-bromo-3-methyl-6-(trifluoromethyl)aniline

2-bromo-3-methyl-6-(trifluoromethyl)aniline (PubChem CID 131143888) has the molecular formula C₈H₇BrF₃N and a molecular weight of 254.05 g/mol. Its IUPAC name is 2-bromo-3-methyl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name	2-bromo-3-methyl-6-(trifluoromethyl)aniline
PubChem CID	131143888
Molecular Formula	C₈H₇BrF₃N
Molecular Weight	254.05 g/mol
Exact Mass	252.97
IUPAC Name	2-bromo-3-methyl-6-(trifluoromethyl)aniline
SMILES	Cc1ccc(C(F)(F)F)c(N)c1Br
InChI	InChI=1S/C8H7BrF3N/c1-4-2-3-5(8(10,11)12)7(13)6(4)9/h2-3H,13H2,1H3
InChIKey	DRCWIPGWAIFSMG-UHFFFAOYSA-N
XLogP	3.36
TPSA	26.02 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.05
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-6-(trifluoromethyl)aniline?

The IUPAC name of 2-bromo-3-methyl-6-(trifluoromethyl)aniline (CID 131143888) is 2-bromo-3-methyl-6-(trifluoromethyl)aniline.

What is the SMILES notation for 2-bromo-3-methyl-6-(trifluoromethyl)aniline?

The canonical SMILES for 2-bromo-3-methyl-6-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)c(N)c1Br.

What is the InChIKey of 2-bromo-3-methyl-6-(trifluoromethyl)aniline?

The InChIKey is DRCWIPGWAIFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N/c1-4-2-3-5(8(10,11)12)7(13)6(4)9/h2-3H,13H2,1H3.

What are the key properties of 2-bromo-3-methyl-6-(trifluoromethyl)aniline?

2-bromo-3-methyl-6-(trifluoromethyl)aniline has a molecular weight of 254.05 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-methyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 131143888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 131143888 — identifiers, structure, computed properties (public domain)

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