(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium

C10H8F3N2O2+ — CID 11379543

IUPAC(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium
SMILESCO/C(O)=C(/[N+]#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)8(15-14)6-3-2-4-7(5-6)10(11,12)13/h2-5H,1H3/p+1/b9-8+
InChIKeyLYIYOUISTXUCQN-CMDGGOBGSA-O
MW245.18 g/mol
LogP3.39
Rot. Bonds2

About (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium

(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium (PubChem CID 11379543) has the molecular formula C10H8F3N2O2+ and a molecular weight of 245.18 g/mol. Its IUPAC name is (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium
PubChem CID11379543
Molecular FormulaC10H8F3N2O2+
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium
SMILESCO/C(O)=C(/[N+]#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O2/c1-17-9(16)8(15-14)6-3-2-4-7(5-6)10(11,12)13/h2-5H,1H3/p+1/b9-8+
InChIKeyLYIYOUISTXUCQN-CMDGGOBGSA-O
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium?
The IUPAC name of (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium (CID 11379543) is (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium.
What is the SMILES notation for (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium?
The canonical SMILES for (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium is CO/C(O)=C(/[N+]#N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium?
The InChIKey is LYIYOUISTXUCQN-CMDGGOBGSA-O. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-9(16)8(15-14)6-3-2-4-7(5-6)10(11,12)13/h2-5H,1H3/p+1/b9-8+.
What are the key properties of (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium?
(E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium has a molecular weight of 245.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethenediazonium is sourced from PubChem (CID 11379543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).