4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol

C14H11F3N2O2 — CID 136880814

IUPAC4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-21-13-7-3-11(4-8-13)19-18-10-1-5-12(20)6-2-10/h1-8,20H,9H2/b19-18+
InChIKeyQSVFQWADMVLIJA-VHEBQXMUSA-N
MW296.25 g/mol
LogP4.75
Rot. Bonds4

About 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol

4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol (PubChem CID 136880814) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
PubChem CID136880814
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
SMILESOc1ccc(/N=N/c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-21-13-7-3-11(4-8-13)19-18-10-1-5-12(20)6-2-10/h1-8,20H,9H2/b19-18+
InChIKeyQSVFQWADMVLIJA-VHEBQXMUSA-N
XLogP4.75
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol?
The IUPAC name of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol (CID 136880814) is 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol.
What is the SMILES notation for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol?
The canonical SMILES for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol is Oc1ccc(/N=N/c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol?
The InChIKey is QSVFQWADMVLIJA-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)9-21-13-7-3-11(4-8-13)19-18-10-1-5-12(20)6-2-10/h1-8,20H,9H2/b19-18+.
What are the key properties of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol?
4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol has a molecular weight of 296.25 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol is sourced from PubChem (CID 136880814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).