2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline

C7H2Cl2F5N — CID 11346137

IUPAC2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline
SMILESNc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7H2Cl2F5N/c8-2-4(10)1(7(12,13)14)5(11)3(9)6(2)15/h15H2
InChIKeyPGIKTJXLUZQBOS-UHFFFAOYSA-N
MW266.00 g/mol
LogP3.87
Rot. Bonds

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

2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline (PubChem CID 11346137) has the molecular formula C7H2Cl2F5N and a molecular weight of 266.00 g/mol. Its IUPAC name is 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline
PubChem CID11346137
Molecular FormulaC7H2Cl2F5N
Molecular Weight266.00 g/mol
Exact Mass264.95
IUPAC Name2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline
SMILESNc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7H2Cl2F5N/c8-2-4(10)1(7(12,13)14)5(11)3(9)6(2)15/h15H2
InChIKeyPGIKTJXLUZQBOS-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.00
LogP ≤ 53.87
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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Related Compounds

4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
2,6-Dichloro-3,5-difluoro-4-(trifluoromethyl)phenylhydrazine
CID 2782508
4-Amino-3,5-dichloro-2,6-difluorobenzonitrile
CID 13603254
2-Chloro-3,5,6-trifluoro-4-(trifluoromethyl)phenylhydrazine
CID 13913419
2-Chloro-3-fluoro-4-(trifluoromethyl)aniline
CID 14290907
2-Chloro-6-fluoro-4-(trifluoromethyl)aniline
CID 19914157
2-Chloro-3,5,6-trifluoro-4-(trifluoromethyl)aniline
CID 19914160
2,6-Dichloro-3-fluoro-4-(trifluoromethyl)aniline
CID 19914163
2,3,5,6-Tetrachloro-4-(trifluoromethyl)aniline
CID 20567260
2,6-Dichloro-4-(2,2,2-trifluoroethyl)aniline
CID 67727596
2,6-Dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)aniline
CID 68330844

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline (CID 11346137) is 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline is Nc1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl.
What is the InChIKey of 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is PGIKTJXLUZQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F5N/c8-2-4(10)1(7(12,13)14)5(11)3(9)6(2)15/h15H2.
What are the key properties of 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline?
2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 266.00 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 11346137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).