3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid

C11H11FO3 — CID 79726253

IUPAC3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
SMILESCCOc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyRCGXERWXYJLKEH-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.48
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid

3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid (PubChem CID 79726253) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
PubChem CID79726253
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
SMILESCCOc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyRCGXERWXYJLKEH-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
3-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroprop-2-enoic acid
CID 67567650
2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid
CID 3557192
3-(4-ethoxy-3-methoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726801
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
CID 625408
2-[(4-butoxyphenyl)methylidene]propanedioic acid
CID 21291628
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid (CID 79726253) is 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid is CCOc1ccc(C=C(F)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid?
The InChIKey is RCGXERWXYJLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid?
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 79726253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).