(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate

C11H10FO3- — CID 164845141

IUPAC(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate
SMILESCCOC(=O)/C=C(\[O-])c1ccccc1F
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/p-1/b10-7-
InChIKeySLNZMHNYVVUDBE-YFHOEESVSA-M
MW209.20 g/mol
LogP1.09
Rot. Bonds3

About (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate

(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate (PubChem CID 164845141) has the molecular formula C11H10FO3- and a molecular weight of 209.20 g/mol. Its IUPAC name is (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate.

Molecular Properties

Compound Name(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate
PubChem CID164845141
Molecular FormulaC11H10FO3-
Molecular Weight209.20 g/mol
Exact Mass209.06
IUPAC Name(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate
SMILESCCOC(=O)/C=C(\[O-])c1ccccc1F
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/p-1/b10-7-
InChIKeySLNZMHNYVVUDBE-YFHOEESVSA-M
XLogP1.09
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-fluorophenyl)-3-(4-methylphenyl)prop-2-enoate
CID 10779406
lithium 1-(2,3-difluorophenyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate
CID 67153480
propyl (E)-3-amino-3-(2-fluorophenyl)prop-2-enoate
CID 10632857
ethyl (E)-4-(2-fluorophenyl)-4-hydroxy-2-oxobut-3-enoate
CID 67153299
3-ethoxy-1-(3-fluorophenyl)-3-oxoprop-1-en-1-olate;3-ethoxy-1-(4-fluorophenyl)-3-oxoprop-1-en-1-olate;1-(2-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-en-1-olate;1-(3-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-en-1-olate;1-(3-fluorophenyl)-3-methoxy-3-oxoprop-1-en-1-olate;1-(4-fluorophenyl)-3-methoxy-3-oxoprop-1-en-1-olate;1-(3-fluorophenyl)-3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-en-1-olate;1-(4-fluorophenyl)-3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-en-1-olate
CID 167598851
ethyl 3-fluoro-2-(2-fluorophenyl)prop-2-enoate
CID 144859412
tetrakis((E)-1,3-diethoxy-3-oxoprop-1-en-1-olate);toluene;zirconium(4+)
CID 139148926
ethyl 3-chloro-3-(2-methylphenyl)prop-2-enoate
CID 86586403
ethyl (Z)-4-bromo-3-(2-fluorophenoxy)but-2-enoate
CID 66895214
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (E)-4-(2-fluorophenyl)but-2-enoate
CID 67059339

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate?
The IUPAC name of (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate (CID 164845141) is (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate.
What is the SMILES notation for (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate?
The canonical SMILES for (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate is CCOC(=O)/C=C(\[O-])c1ccccc1F.
What is the InChIKey of (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate?
The InChIKey is SLNZMHNYVVUDBE-YFHOEESVSA-M. The full InChI is InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/p-1/b10-7-.
What are the key properties of (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate?
(Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate has a molecular weight of 209.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-1-(2-fluorophenyl)-3-oxoprop-1-en-1-olate is sourced from PubChem (CID 164845141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).