2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline

C10H10Cl2F3NO — CID 130275816

IUPAC2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
SMILESCOC(C)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO/c1-9(17-2,10(13,14)15)5-3-6(11)8(16)7(12)4-5/h3-4H,16H2,1-2H3
InChIKeyODEGYADOQYZHLU-UHFFFAOYSA-N
MW288.10 g/mol
LogP4.00
Rot. Bonds2

About 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline

2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline (PubChem CID 130275816) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
PubChem CID130275816
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
SMILESCOC(C)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO/c1-9(17-2,10(13,14)15)5-3-6(11)8(16)7(12)4-5/h3-4H,16H2,1-2H3
InChIKeyODEGYADOQYZHLU-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Amino-3,5-dichlorophenyl)ethanol
CID 23162101
Benzenemethanol, 4-amino-3-chloro-alpha,alpha-bis(trifluoromethyl)-
CID 14510516
(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-ethylene oxide
CID 15067147
2-(4-Amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 69109376
1-(4-Amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 86674605
4-[1-(4-Chlorophenyl)-1-ethoxy-2,2,2-trifluoroethyl]aniline
CID 91510747
2-(4-Amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118070150
2-(4-Amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130274649
1-(4-Amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130274748
(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130276472
2-(4-Amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130276475
2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
CID 140801931

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline (CID 130275816) is 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline is COC(C)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline?
The InChIKey is ODEGYADOQYZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c1-9(17-2,10(13,14)15)5-3-6(11)8(16)7(12)4-5/h3-4H,16H2,1-2H3.
What are the key properties of 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline?
2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline has a molecular weight of 288.10 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline is sourced from PubChem (CID 130275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).