2-fluoro-3-(prop-2-enoxymethyl)benzoic acid

C11H11FO3 — CID 107119645

IUPAC2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
SMILESC=CCOCc1cccc(C(=O)O)c1F
InChIInChI=1S/C11H11FO3/c1-2-6-15-7-8-4-3-5-9(10(8)12)11(13)14/h2-5H,1,6-7H2,(H,13,14)
InChIKeyDZBKZVXZXMASGY-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.23
Rot. Bonds5

About 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid

2-fluoro-3-(prop-2-enoxymethyl)benzoic acid (PubChem CID 107119645) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
PubChem CID107119645
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
SMILESC=CCOCc1cccc(C(=O)O)c1F
InChIInChI=1S/C11H11FO3/c1-2-6-15-7-8-4-3-5-9(10(8)12)11(13)14/h2-5H,1,6-7H2,(H,13,14)
InChIKeyDZBKZVXZXMASGY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-3-(phenylmethoxymethyl)benzoic acid
CID 107119649
2-fluoro-3-(3-hydroxypropoxymethyl)benzoic acid
CID 107119719
2-fluoro-3-(4-methylpentan-2-yloxymethyl)benzoic acid
CID 107119679
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 144752286
3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
3-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119816
2-prop-2-enylbenzoic acid
CID 2752991
1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
CID 100963408
methyl 2-fluoro-3-(2-oxo-2-prop-2-enoxyethyl)benzoate
CID 58345874
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid (CID 107119645) is 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid is C=CCOCc1cccc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid?
The InChIKey is DZBKZVXZXMASGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-6-15-7-8-4-3-5-9(10(8)12)11(13)14/h2-5H,1,6-7H2,(H,13,14).
What are the key properties of 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid?
2-fluoro-3-(prop-2-enoxymethyl)benzoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(prop-2-enoxymethyl)benzoic acid is sourced from PubChem (CID 107119645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).