2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline

C11H11F6N — CID 71327551

IUPAC2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
SMILESCc1c(N)c(C)c(C(F)(F)F)c(C)c1C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-4-7(10(12,13)14)5(2)9(18)6(3)8(4)11(15,16)17/h18H2,1-3H3
InChIKeyZVVAPHHZCGWDPG-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.23
Rot. Bonds

About 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline

2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline (PubChem CID 71327551) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
PubChem CID71327551
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
SMILESCc1c(N)c(C)c(C(F)(F)F)c(C)c1C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-4-7(10(12,13)14)5(2)9(18)6(3)8(4)11(15,16)17/h18H2,1-3H3
InChIKeyZVVAPHHZCGWDPG-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline (CID 71327551) is 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline is Cc1c(N)c(C)c(C(F)(F)F)c(C)c1C(F)(F)F.
What is the InChIKey of 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline?
The InChIKey is ZVVAPHHZCGWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-4-7(10(12,13)14)5(2)9(18)6(3)8(4)11(15,16)17/h18H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline?
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline has a molecular weight of 271.20 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 71327551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).