(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium

C11H7F6N2O2+ — CID 10662874

IUPAC(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2O2/c1-21-9(20)8(19-18)5-2-6(10(12,13)14)4-7(3-5)11(15,16)17/h2-4H,1H3/p+1/b9-8-
InChIKeyPOYGKULZOSUBSW-HJWRWDBZSA-O
MW313.18 g/mol
LogP4.41
Rot. Bonds2

About (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium

(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium (PubChem CID 10662874) has the molecular formula C11H7F6N2O2+ and a molecular weight of 313.18 g/mol. Its IUPAC name is (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium.

Molecular Properties

Compound Name(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium
PubChem CID10662874
Molecular FormulaC11H7F6N2O2+
Molecular Weight313.18 g/mol
Exact Mass313.04
IUPAC Name(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2O2/c1-21-9(20)8(19-18)5-2-6(10(12,13)14)4-7(3-5)11(15,16)17/h2-4H,1H3/p+1/b9-8-
InChIKeyPOYGKULZOSUBSW-HJWRWDBZSA-O
XLogP4.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.41
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 (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium?
The IUPAC name of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium (CID 10662874) is (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium.
What is the SMILES notation for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium?
The canonical SMILES for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium is CO/C(O)=C(\[N+]#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium?
The InChIKey is POYGKULZOSUBSW-HJWRWDBZSA-O. The full InChI is InChI=1S/C11H6F6N2O2/c1-21-9(20)8(19-18)5-2-6(10(12,13)14)4-7(3-5)11(15,16)17/h2-4H,1H3/p+1/b9-8-.
What are the key properties of (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium?
(Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium has a molecular weight of 313.18 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-2-methoxyethenediazonium is sourced from PubChem (CID 10662874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).