5-fluoro-2-prop-2-enoxybenzoic acid

C10H9FO3 — CID 63674181

IUPAC5-fluoro-2-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H9FO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKeyZSWOTJIPYBQFIN-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.09
Rot. Bonds4

About 5-fluoro-2-prop-2-enoxybenzoic acid

5-fluoro-2-prop-2-enoxybenzoic acid (PubChem CID 63674181) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-fluoro-2-prop-2-enoxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-prop-2-enoxybenzoic acid
PubChem CID63674181
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name5-fluoro-2-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H9FO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)
InChIKeyZSWOTJIPYBQFIN-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-2-prop-2-enoxybenzoic acid
CID 21416446
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-bromo-3-fluoro-4-prop-2-enoxybenzoic acid
CID 107540612
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-but-2-ynoxy-5-fluorobenzoic acid
CID 115297884
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-prop-2-enoxybenzoic acid?
The IUPAC name of 5-fluoro-2-prop-2-enoxybenzoic acid (CID 63674181) is 5-fluoro-2-prop-2-enoxybenzoic acid.
What is the SMILES notation for 5-fluoro-2-prop-2-enoxybenzoic acid?
The canonical SMILES for 5-fluoro-2-prop-2-enoxybenzoic acid is C=CCOc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-prop-2-enoxybenzoic acid?
The InChIKey is ZSWOTJIPYBQFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13).
What are the key properties of 5-fluoro-2-prop-2-enoxybenzoic acid?
5-fluoro-2-prop-2-enoxybenzoic acid has a molecular weight of 196.18 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-prop-2-enoxybenzoic acid is sourced from PubChem (CID 63674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).