4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline

C10H11BrF3N — CID 29048990

IUPAC4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(Br)cc(C)c1NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-6-3-8(11)4-7(2)9(6)15-5-10(12,13)14/h3-4,15H,5H2,1-2H3
InChIKeyPAHCLSSSWXKCGN-UHFFFAOYSA-N
MW282.10 g/mol
LogP4.04
Rot. Bonds2

About 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline

4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 29048990) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID29048990
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(Br)cc(C)c1NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-6-3-8(11)4-7(2)9(6)15-5-10(12,13)14/h3-4,15H,5H2,1-2H3
InChIKeyPAHCLSSSWXKCGN-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline (CID 29048990) is 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline is Cc1cc(Br)cc(C)c1NCC(F)(F)F.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is PAHCLSSSWXKCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6-3-8(11)4-7(2)9(6)15-5-10(12,13)14/h3-4,15H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 29048990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).