5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid

C12H13FO4 — CID 62299212

IUPAC5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COc2ccccc2F)O1
InChIInChI=1S/C12H13FO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-4,8,11H,5-7H2,(H,14,15)
InChIKeyWHBDCTOVQNLJLA-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.84
Rot. Bonds4

About 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid

5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid (PubChem CID 62299212) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
PubChem CID62299212
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COc2ccccc2F)O1
InChIInChI=1S/C12H13FO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-4,8,11H,5-7H2,(H,14,15)
InChIKeyWHBDCTOVQNLJLA-UHFFFAOYSA-N
XLogP1.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-methoxybenzene;5-methyloxolane-2-carboxylic acid
CID 176996277
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299393
5-[(2,6-dibromophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299573
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2-methyl-3-nitrophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299765
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63568919
5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
CID 83213949
5-[[3-(trifluoromethyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62298692
5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
CID 107742364
5-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolane-2-carboxylic acid
CID 62979551

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid (CID 62299212) is 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(COc2ccccc2F)O1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid?
The InChIKey is WHBDCTOVQNLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-4,8,11H,5-7H2,(H,14,15).
What are the key properties of 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid?
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).