2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid

C13H15FO4 — CID 79356851

IUPAC2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
SMILESC=CCc1cc(OCC)ccc1OC(F)C(=O)O
InChIInChI=1S/C13H15FO4/c1-3-5-9-8-10(17-4-2)6-7-11(9)18-12(14)13(15)16/h3,6-8,12H,1,4-5H2,2H3,(H,15,16)
InChIKeyKWWHKHHRSFZYES-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid

2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid (PubChem CID 79356851) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
PubChem CID79356851
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
SMILESC=CCc1cc(OCC)ccc1OC(F)C(=O)O
InChIInChI=1S/C13H15FO4/c1-3-5-9-8-10(17-4-2)6-7-11(9)18-12(14)13(15)16/h3,6-8,12H,1,4-5H2,2H3,(H,15,16)
InChIKeyKWWHKHHRSFZYES-UHFFFAOYSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
CID 64697737
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 63515567
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid (CID 79356851) is 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid is C=CCc1cc(OCC)ccc1OC(F)C(=O)O.
What is the InChIKey of 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid?
The InChIKey is KWWHKHHRSFZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-3-5-9-8-10(17-4-2)6-7-11(9)18-12(14)13(15)16/h3,6-8,12H,1,4-5H2,2H3,(H,15,16).
What are the key properties of 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid?
2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid has a molecular weight of 254.26 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79356851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).