2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline

C9H8Cl2F3N — CID 11821253

IUPAC2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8Cl2F3N/c1-15(2)8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,1-2H3
InChIKeyLXOBSXDEOIYCKO-UHFFFAOYSA-N
MW258.07 g/mol
LogP4.08
Rot. Bonds1

About 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline

2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 11821253) has the molecular formula C9H8Cl2F3N and a molecular weight of 258.07 g/mol. Its IUPAC name is 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID11821253
Molecular FormulaC9H8Cl2F3N
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Name2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8Cl2F3N/c1-15(2)8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,1-2H3
InChIKeyLXOBSXDEOIYCKO-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline (CID 11821253) is 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is LXOBSXDEOIYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3N/c1-15(2)8-6(10)3-5(4-7(8)11)9(12,13)14/h3-4H,1-2H3.
What are the key properties of 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 258.07 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 11821253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).