4-but-3-enoxy-2-fluorobenzoic acid

C11H11FO3 — CID 107675377

IUPAC4-but-3-enoxy-2-fluorobenzoic acid
SMILESC=CCCOc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h2,4-5,7H,1,3,6H2,(H,13,14)
InChIKeyGVLLJCRWPIBEFY-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.48
Rot. Bonds5

About 4-but-3-enoxy-2-fluorobenzoic acid

4-but-3-enoxy-2-fluorobenzoic acid (PubChem CID 107675377) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 4-but-3-enoxy-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-but-3-enoxy-2-fluorobenzoic acid
PubChem CID107675377
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name4-but-3-enoxy-2-fluorobenzoic acid
SMILESC=CCCOc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h2,4-5,7H,1,3,6H2,(H,13,14)
InChIKeyGVLLJCRWPIBEFY-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(4-undec-10-enoxyphenyl)benzoic acid
CID 139786123
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
4-(2-acetamidoethoxy)-2-fluorobenzoic acid
CID 107675500
2-fluoro-4-(2-methylsulfanylethoxy)benzoic acid
CID 107675263
2-but-3-enoxy-4-octoxybenzoic acid
CID 19426217
5-but-3-enoxy-2-nitrobenzoic acid
CID 29005919
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
2-fluoro-4-(2-propylsulfonylethoxy)benzoic acid
CID 107675513
4-(5-cyano-5-methylhexoxy)-2-fluorobenzoic acid
CID 107675216
4-(3-oxopropoxy)phthalic acid
CID 57222594
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-2-fluorobenzoic acid?
The IUPAC name of 4-but-3-enoxy-2-fluorobenzoic acid (CID 107675377) is 4-but-3-enoxy-2-fluorobenzoic acid.
What is the SMILES notation for 4-but-3-enoxy-2-fluorobenzoic acid?
The canonical SMILES for 4-but-3-enoxy-2-fluorobenzoic acid is C=CCCOc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-but-3-enoxy-2-fluorobenzoic acid?
The InChIKey is GVLLJCRWPIBEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-3-6-15-8-4-5-9(11(13)14)10(12)7-8/h2,4-5,7H,1,3,6H2,(H,13,14).
What are the key properties of 4-but-3-enoxy-2-fluorobenzoic acid?
4-but-3-enoxy-2-fluorobenzoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-2-fluorobenzoic acid is sourced from PubChem (CID 107675377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).