4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline

C14H7F8N3 — CID 90671231

IUPAC4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
SMILESFc1ccc(/N=N/Nc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7F8N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24)
InChIKeyJZMQMAHSVZRREE-UHFFFAOYSA-N
MW369.22 g/mol
LogP6.11
Rot. Bonds3

About 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline

4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline (PubChem CID 90671231) has the molecular formula C14H7F8N3 and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
PubChem CID90671231
Molecular FormulaC14H7F8N3
Molecular Weight369.22 g/mol
Exact Mass369.05
IUPAC Name4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
SMILESFc1ccc(/N=N/Nc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7F8N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24)
InChIKeyJZMQMAHSVZRREE-UHFFFAOYSA-N
XLogP6.11
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.22
LogP ≤ 56.11
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline (CID 90671231) is 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline is Fc1ccc(/N=N/Nc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The InChIKey is JZMQMAHSVZRREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F8N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24).
What are the key properties of 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline has a molecular weight of 369.22 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 90671231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).