2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline

C8H5Cl3F3NO — CID 56609354

IUPAC2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline
SMILESNc1ccc(OC(F)(F)C(F)Cl)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F3NO/c9-5-3(15)1-2-4(6(5)10)16-8(13,14)7(11)12/h1-2,7H,15H2
InChIKeySNTKDROXNZKGPC-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.08
Rot. Bonds3

About 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline

2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline (PubChem CID 56609354) has the molecular formula C8H5Cl3F3NO and a molecular weight of 294.49 g/mol. Its IUPAC name is 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline
PubChem CID56609354
Molecular FormulaC8H5Cl3F3NO
Molecular Weight294.49 g/mol
Exact Mass292.94
IUPAC Name2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline
SMILESNc1ccc(OC(F)(F)C(F)Cl)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F3NO/c9-5-3(15)1-2-4(6(5)10)16-8(13,14)7(11)12/h1-2,7H,15H2
InChIKeySNTKDROXNZKGPC-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The IUPAC name of 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline (CID 56609354) is 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline.
What is the SMILES notation for 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The canonical SMILES for 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline is Nc1ccc(OC(F)(F)C(F)Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline?
The InChIKey is SNTKDROXNZKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F3NO/c9-5-3(15)1-2-4(6(5)10)16-8(13,14)7(11)12/h1-2,7H,15H2.
What are the key properties of 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline?
2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline has a molecular weight of 294.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethoxy)aniline is sourced from PubChem (CID 56609354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).