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

N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
2,6-difluoro-N-phenylaniline
CID 13387559
N-(3-chlorophenyl)-2,6-difluoroaniline
CID 82536842
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
CID 15496127
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
CID 126697090

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).