2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline

C13H8F5N — CID 82536810

IUPAC2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFc1cccc(F)c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F5N/c14-10-5-2-6-11(15)12(10)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H
InChIKeyNJAUSRKRVFFWGS-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.73
Rot. Bonds2

About 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline

2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 82536810) has the molecular formula C13H8F5N and a molecular weight of 273.20 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID82536810
Molecular FormulaC13H8F5N
Molecular Weight273.20 g/mol
Exact Mass273.06
IUPAC Name2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
SMILESFc1cccc(F)c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F5N/c14-10-5-2-6-11(15)12(10)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H
InChIKeyNJAUSRKRVFFWGS-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
Dibenz(b,f)azepine
CID 9212
Iminodibenyl
CID 10308
N-(3-Methylphenyl)aniline
CID 14569
N-Phenyl-p-toluidine
CID 12109
Benzylaniline
CID 66028
Thiobenzanilide
CID 668263
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
3-Amino-2-fluorobenzotrifluoride
CID 145569
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline (CID 82536810) is 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline is Fc1cccc(F)c1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is NJAUSRKRVFFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N/c14-10-5-2-6-11(15)12(10)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H.
What are the key properties of 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline?
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 273.20 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 82536810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).