2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline

C15H8Cl2F6N2 — CID 2740496

IUPAC2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H8Cl2F6N2/c16-11-5-10(15(21,22)23)6-12(17)13(11)25-24-7-8-1-3-9(4-2-8)14(18,19)20/h1-7,25H
InChIKeyBRQJLDBHQBWVPD-UHFFFAOYSA-N
MW401.14 g/mol
LogP6.48
Rot. Bonds3

About 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline

2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 2740496) has the molecular formula C15H8Cl2F6N2 and a molecular weight of 401.14 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID2740496
Molecular FormulaC15H8Cl2F6N2
Molecular Weight401.14 g/mol
Exact Mass400.00
IUPAC Name2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESFC(F)(F)c1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H8Cl2F6N2/c16-11-5-10(15(21,22)23)6-12(17)13(11)25-24-7-8-1-3-9(4-2-8)14(18,19)20/h1-7,25H
InChIKeyBRQJLDBHQBWVPD-UHFFFAOYSA-N
XLogP6.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.14
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 2740496) is 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is FC(F)(F)c1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is BRQJLDBHQBWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F6N2/c16-11-5-10(15(21,22)23)6-12(17)13(11)25-24-7-8-1-3-9(4-2-8)14(18,19)20/h1-7,25H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline?
2,6-dichloro-4-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 401.14 g/mol, XLogP of 6.48, 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-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 2740496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).