N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline

C16H7F12N3 — CID 611676

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H7F12N3/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-31-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,(H,29,30)
InChIKeyVBWILCLFNCBKNE-UHFFFAOYSA-N
MW469.23 g/mol
LogP7.87
Rot. Bonds3

About N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline

N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 611676) has the molecular formula C16H7F12N3 and a molecular weight of 469.23 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline
PubChem CID611676
Molecular FormulaC16H7F12N3
Molecular Weight469.23 g/mol
Exact Mass469.04
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H7F12N3/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-31-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,(H,29,30)
InChIKeyVBWILCLFNCBKNE-UHFFFAOYSA-N
XLogP7.87
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.23
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzenamine, 3,5-bis(trifluoromethyl)-
CID 9480
(3-(Trifluoromethyl)phenyl)hydrazine
CID 98650
[3,5-Bis(trifluoromethyl)phenyl]hydrazine
CID 522901
1,3-Bis(2-cyano-5-(trifluoromethyl)phenyl)triazene
CID 3035495
1,2-Bis[3,5-bis(trifluoromethyl)phenyl]hydrazine
CID 2803763
(3,5-Dimethylphenyl)hydrazine
CID 1810602
3-Amino-5-methylbenzotrifluoride
CID 2737713
Benzenediazonium, 3,5-bis(trifluoromethyl)-
CID 122454
N-[(E)-phenylazo]-3-(trifluoromethyl)aniline
CID 44241629
N-[(E)-(2,5-difluorophenyl)azo]-3-(trifluoromethyl)aniline
CID 45481726
2-fluoro-N-[(E)-[2-fluoro-3-(trifluoromethyl)phenyl]azo]-3-(trifluoromethyl)aniline
CID 90671228
4-fluoro-N-[(E)-[4-fluoro-3-(trifluoromethyl)phenyl]azo]-3-(trifluoromethyl)aniline
CID 90671234

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline (CID 611676) is N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(/N=N/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline?
The InChIKey is VBWILCLFNCBKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F12N3/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-31-30-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,(H,29,30).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline?
N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline has a molecular weight of 469.23 g/mol, XLogP of 7.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 611676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).