2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline

C10H11Cl2F3N2 — CID 82833322

IUPAC2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C10H11Cl2F3N2/c1-17(5-10(13,14)15)4-6-2-7(11)9(16)8(12)3-6/h2-3H,4-5,16H2,1H3
InChIKeyFMPOAMYYNZTKPM-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.57
Rot. Bonds3

About 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline

2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 82833322) has the molecular formula C10H11Cl2F3N2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID82833322
Molecular FormulaC10H11Cl2F3N2
Molecular Weight287.11 g/mol
Exact Mass286.03
IUPAC Name2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C10H11Cl2F3N2/c1-17(5-10(13,14)15)4-6-2-7(11)9(16)8(12)3-6/h2-3H,4-5,16H2,1H3
InChIKeyFMPOAMYYNZTKPM-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 141094
CID 141094
CID 10019496
CID 10019496
CID 2825078
CID 2825078
CID 3017030
CID 3017030
CID 126508059
CID 126508059
CID 91654461
CID 91654461
CID 11042959
CID 11042959
CID 11821253
CID 11821253
CID 18755660
CID 18755660
CID 19754605
CID 19754605
CID 19785864
CID 19785864
CID 19963968
CID 19963968

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 82833322) is 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is FMPOAMYYNZTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F3N2/c1-17(5-10(13,14)15)4-6-2-7(11)9(16)8(12)3-6/h2-3H,4-5,16H2,1H3.
What are the key properties of 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 287.11 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 82833322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).