1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C13H9F5N2 — CID 60926447

IUPAC1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F5N2/c14-9-2-1-3-10(15)12(9)20-11-5-4-7(19)6-8(11)13(16,17)18/h1-6,20H,19H2
InChIKeyWAXXPAXFIIQEEC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.31
Rot. Bonds2

About 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 60926447) has the molecular formula C13H9F5N2 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID60926447
Molecular FormulaC13H9F5N2
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F5N2/c14-9-2-1-3-10(15)12(9)20-11-5-4-7(19)6-8(11)13(16,17)18/h1-6,20H,19H2
InChIKeyWAXXPAXFIIQEEC-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468899
1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 66253555
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
1-N-(2-iodophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402341
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
3-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 65484974
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
CID 67733046

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 60926447) is 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(Nc2c(F)cccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is WAXXPAXFIIQEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2/c14-9-2-1-3-10(15)12(9)20-11-5-4-7(19)6-8(11)13(16,17)18/h1-6,20H,19H2.
What are the key properties of 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 60926447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).