(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium

C4HF3N3O+ — CID 14544801

IUPAC(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium
SMILESN#C/C([N+]#N)=C(/O)C(F)(F)F
InChIInChI=1S/C4F3N3O/c5-4(6,7)3(11)2(1-8)10-9/p+1/b3-2-
InChIKeyRHBPHCXIZRHKAD-IHWYPQMZSA-O
MW164.07 g/mol
LogP1.69
Rot. Bonds

About (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium

(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium (PubChem CID 14544801) has the molecular formula C4HF3N3O+ and a molecular weight of 164.07 g/mol. Its IUPAC name is (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium
PubChem CID14544801
Molecular FormulaC4HF3N3O+
Molecular Weight164.07 g/mol
Exact Mass164.01
IUPAC Name(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium
SMILESN#C/C([N+]#N)=C(/O)C(F)(F)F
InChIInChI=1S/C4F3N3O/c5-4(6,7)3(11)2(1-8)10-9/p+1/b3-2-
InChIKeyRHBPHCXIZRHKAD-IHWYPQMZSA-O
XLogP1.69
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.69
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'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium
CID 76851045

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium?
The IUPAC name of (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium (CID 14544801) is (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium.
What is the SMILES notation for (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium?
The canonical SMILES for (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium is N#C/C([N+]#N)=C(/O)C(F)(F)F.
What is the InChIKey of (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium?
The InChIKey is RHBPHCXIZRHKAD-IHWYPQMZSA-O. The full InChI is InChI=1S/C4F3N3O/c5-4(6,7)3(11)2(1-8)10-9/p+1/b3-2-.
What are the key properties of (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium?
(Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium has a molecular weight of 164.07 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyano-3,3,3-trifluoro-2-hydroxyprop-1-ene-1-diazonium is sourced from PubChem (CID 14544801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).