(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene

C14H11F3N2 — CID 175226539

IUPAC(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESCc1ccccc1/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c1-10-4-2-3-5-13(10)19-18-12-8-6-11(7-9-12)14(15,16)17/h2-9H,1H3/b19-18+
InChIKeyBFHMXZDPNYLBOW-VHEBQXMUSA-N
MW264.25 g/mol
LogP5.43
Rot. Bonds2

About (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene

(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 175226539) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene
PubChem CID175226539
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESCc1ccccc1/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c1-10-4-2-3-5-13(10)19-18-12-8-6-11(7-9-12)14(15,16)17/h2-9H,1H3/b19-18+
InChIKeyBFHMXZDPNYLBOW-VHEBQXMUSA-N
XLogP5.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.25
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene (CID 175226539) is (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene is Cc1ccccc1/N=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is BFHMXZDPNYLBOW-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11F3N2/c1-10-4-2-3-5-13(10)19-18-12-8-6-11(7-9-12)14(15,16)17/h2-9H,1H3/b19-18+.
What are the key properties of (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
(2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 264.25 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 175226539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).