2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine

C11H13F4N — CID 65299585

IUPAC2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-6-4-8(5-7(2)9(6)12)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3
InChIKeyAERQREBOSPVUIR-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.27
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine

2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 65299585) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
PubChem CID65299585
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(c1cc(C)c(F)c(C)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-6-4-8(5-7(2)9(6)12)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3
InChIKeyAERQREBOSPVUIR-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine (CID 65299585) is 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine is CNC(c1cc(C)c(F)c(C)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is AERQREBOSPVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-6-4-8(5-7(2)9(6)12)10(16-3)11(13,14)15/h4-5,10,16H,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine?
2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 235.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 65299585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).