2-fluoro-3-methyloxirane-2-carboxylic acid

C4H5FO3 — CID 151667742

IUPAC2-fluoro-3-methyloxirane-2-carboxylic acid
SMILESCC1OC1(F)C(=O)O
InChIInChI=1S/C4H5FO3/c1-2-4(5,8-2)3(6)7/h2H,1H3,(H,6,7)
InChIKeyQXWRNRLJLUMRNA-UHFFFAOYSA-N
MW120.08 g/mol
LogP0.16
Rot. Bonds1

About 2-fluoro-3-methyloxirane-2-carboxylic acid

2-fluoro-3-methyloxirane-2-carboxylic acid (PubChem CID 151667742) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is 2-fluoro-3-methyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-3-methyloxirane-2-carboxylic acid
PubChem CID151667742
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name2-fluoro-3-methyloxirane-2-carboxylic acid
SMILESCC1OC1(F)C(=O)O
InChIInChI=1S/C4H5FO3/c1-2-4(5,8-2)3(6)7/h2H,1H3,(H,6,7)
InChIKeyQXWRNRLJLUMRNA-UHFFFAOYSA-N
XLogP0.16
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyloxirane-2-carboxylic acid?
The IUPAC name of 2-fluoro-3-methyloxirane-2-carboxylic acid (CID 151667742) is 2-fluoro-3-methyloxirane-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-3-methyloxirane-2-carboxylic acid?
The canonical SMILES for 2-fluoro-3-methyloxirane-2-carboxylic acid is CC1OC1(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-methyloxirane-2-carboxylic acid?
The InChIKey is QXWRNRLJLUMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c1-2-4(5,8-2)3(6)7/h2H,1H3,(H,6,7).
What are the key properties of 2-fluoro-3-methyloxirane-2-carboxylic acid?
2-fluoro-3-methyloxirane-2-carboxylic acid has a molecular weight of 120.08 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyloxirane-2-carboxylic acid is sourced from PubChem (CID 151667742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).