2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline

C7H2Cl4F3N — CID 20567260

IUPAC2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline
SMILESNc1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H2Cl4F3N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
InChIKeyMYHWVCWYUKYXRO-UHFFFAOYSA-N
MW298.91 g/mol
LogP4.90
Rot. Bonds

About 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline

2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline (PubChem CID 20567260) has the molecular formula C7H2Cl4F3N and a molecular weight of 298.91 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline
PubChem CID20567260
Molecular FormulaC7H2Cl4F3N
Molecular Weight298.91 g/mol
Exact Mass296.89
IUPAC Name2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline
SMILESNc1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H2Cl4F3N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
InChIKeyMYHWVCWYUKYXRO-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline?
The IUPAC name of 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline (CID 20567260) is 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline is Nc1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline?
The InChIKey is MYHWVCWYUKYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl4F3N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2.
What are the key properties of 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline?
2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline has a molecular weight of 298.91 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 20567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).