2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline

C17H14F3N3 — CID 123575923

IUPAC2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
SMILESC=Cc1c(N)ccc(/N=N/c2ccc(C(F)(F)F)cc2)c1C=C
InChIInChI=1S/C17H14F3N3/c1-3-13-14(4-2)16(10-9-15(13)21)23-22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2,21H2/b23-22+
InChIKeyYMHCXNXKJUSEJN-GHVJWSGMSA-N
MW317.31 g/mol
LogP5.99
Rot. Bonds4

About 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline

2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline (PubChem CID 123575923) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
PubChem CID123575923
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
SMILESC=Cc1c(N)ccc(/N=N/c2ccc(C(F)(F)F)cc2)c1C=C
InChIInChI=1S/C17H14F3N3/c1-3-13-14(4-2)16(10-9-15(13)21)23-22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2,21H2/b23-22+
InChIKeyYMHCXNXKJUSEJN-GHVJWSGMSA-N
XLogP5.99
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline?
The IUPAC name of 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline (CID 123575923) is 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline.
What is the SMILES notation for 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline?
The canonical SMILES for 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline is C=Cc1c(N)ccc(/N=N/c2ccc(C(F)(F)F)cc2)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline?
The InChIKey is YMHCXNXKJUSEJN-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-3-13-14(4-2)16(10-9-15(13)21)23-22-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2,21H2/b23-22+.
What are the key properties of 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline?
2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline has a molecular weight of 317.31 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline is sourced from PubChem (CID 123575923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).