potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate

C10H5FKNO2 — CID 22894087

IUPACpotassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
SMILESN#C/C(=C\C(=O)[O-])c1ccc(F)cc1.[K+]
InChIInChI=1S/C10H6FNO2.K/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-5H,(H,13,14);/q;+1/p-1/b8-5+;
InChIKeyOYOFEDHWTHIQBI-HAAWTFQLSA-M
MW229.25 g/mol
LogP-2.51
Rot. Bonds2

About potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate

potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 22894087) has the molecular formula C10H5FKNO2 and a molecular weight of 229.25 g/mol. Its IUPAC name is potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namepotassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
PubChem CID22894087
Molecular FormulaC10H5FKNO2
Molecular Weight229.25 g/mol
Exact Mass228.99
IUPAC Namepotassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
SMILESN#C/C(=C\C(=O)[O-])c1ccc(F)cc1.[K+]
InChIInChI=1S/C10H6FNO2.K/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-5H,(H,13,14);/q;+1/p-1/b8-5+;
InChIKeyOYOFEDHWTHIQBI-HAAWTFQLSA-M
XLogP-2.51
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_E(1)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate (CID 22894087) is potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate is N#C/C(=C\C(=O)[O-])c1ccc(F)cc1.[K+].
What is the InChIKey of potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is OYOFEDHWTHIQBI-HAAWTFQLSA-M. The full InChI is InChI=1S/C10H6FNO2.K/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-5H,(H,13,14);/q;+1/p-1/b8-5+;.
What are the key properties of potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate?
potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 229.25 g/mol, XLogP of -2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 22894087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).