2-azido-4,6-bis(trifluoromethyl)aniline

C8H4F6N4 — CID 23461157

IUPAC2-azido-4,6-bis(trifluoromethyl)aniline
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
InChIInChI=1S/C8H4F6N4/c9-7(10,11)3-1-4(8(12,13)14)6(15)5(2-3)17-18-16/h1-2H,15H2
InChIKeyFEWAUEGSAQZPTD-UHFFFAOYSA-N
MW270.14 g/mol
LogP4.25
Rot. Bonds1

About 2-azido-4,6-bis(trifluoromethyl)aniline

2-azido-4,6-bis(trifluoromethyl)aniline (PubChem CID 23461157) has the molecular formula C8H4F6N4 and a molecular weight of 270.14 g/mol. Its IUPAC name is 2-azido-4,6-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-azido-4,6-bis(trifluoromethyl)aniline
PubChem CID23461157
Molecular FormulaC8H4F6N4
Molecular Weight270.14 g/mol
Exact Mass270.03
IUPAC Name2-azido-4,6-bis(trifluoromethyl)aniline
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
InChIInChI=1S/C8H4F6N4/c9-7(10,11)3-1-4(8(12,13)14)6(15)5(2-3)17-18-16/h1-2H,15H2
InChIKeyFEWAUEGSAQZPTD-UHFFFAOYSA-N
XLogP4.25
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-1,3,5-tris(trifluoromethyl)benzene
CID 154016237
2-azido-4-(trifluoromethyl)phenol
CID 118418215
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
1-azido-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)aniline;methane
CID 163916671
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
1-azido-5-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 169325979
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
1-azido-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-methylbenzene
CID 169326536
1-azido-2,3,4,5,6-pentakis(trifluoromethyl)benzene
CID 151989480
S-[2,4,6-tris(trifluoromethyl)phenyl]thiohydroxylamine
CID 129295053
2-azido-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 59293548

Frequently Asked Questions

What is the IUPAC name of 2-azido-4,6-bis(trifluoromethyl)aniline?
The IUPAC name of 2-azido-4,6-bis(trifluoromethyl)aniline (CID 23461157) is 2-azido-4,6-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2-azido-4,6-bis(trifluoromethyl)aniline?
The canonical SMILES for 2-azido-4,6-bis(trifluoromethyl)aniline is [N-]=[N+]=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.
What is the InChIKey of 2-azido-4,6-bis(trifluoromethyl)aniline?
The InChIKey is FEWAUEGSAQZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N4/c9-7(10,11)3-1-4(8(12,13)14)6(15)5(2-3)17-18-16/h1-2H,15H2.
What are the key properties of 2-azido-4,6-bis(trifluoromethyl)aniline?
2-azido-4,6-bis(trifluoromethyl)aniline has a molecular weight of 270.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,6-bis(trifluoromethyl)aniline is sourced from PubChem (CID 23461157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).