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

C11H13Cl2F3N2 — CID 82832762

IUPAC2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C11H13Cl2F3N2/c1-2-18(6-11(14,15)16)5-7-3-8(12)10(17)9(13)4-7/h3-4H,2,5-6,17H2,1H3
InChIKeyFIYXDXKSXHCNBQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.96
Rot. Bonds4

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

2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 82832762) has the molecular formula C11H13Cl2F3N2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID82832762
Molecular FormulaC11H13Cl2F3N2
Molecular Weight301.14 g/mol
Exact Mass300.04
IUPAC Name2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F
InChIInChI=1S/C11H13Cl2F3N2/c1-2-18(6-11(14,15)16)5-7-3-8(12)10(17)9(13)4-7/h3-4H,2,5-6,17H2,1H3
InChIKeyFIYXDXKSXHCNBQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 82832762) is 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CCN(Cc1cc(Cl)c(N)c(Cl)c1)CC(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is FIYXDXKSXHCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2/c1-2-18(6-11(14,15)16)5-7-3-8(12)10(17)9(13)4-7/h3-4H,2,5-6,17H2,1H3.
What are the key properties of 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 301.14 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 82832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).