2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid

C8H11FO4 — CID 123678781

IUPAC2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid
SMILESCC1C(CC(=O)O)OC(=O)C1(C)F
InChIInChI=1S/C8H11FO4/c1-4-5(3-6(10)11)13-7(12)8(4,2)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyWFDUJQUXFSFMJS-UHFFFAOYSA-N
MW190.17 g/mol
LogP0.75
Rot. Bonds2

About 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid

2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid (PubChem CID 123678781) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid
PubChem CID123678781
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid
SMILESCC1C(CC(=O)O)OC(=O)C1(C)F
InChIInChI=1S/C8H11FO4/c1-4-5(3-6(10)11)13-7(12)8(4,2)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyWFDUJQUXFSFMJS-UHFFFAOYSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid (CID 123678781) is 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid is CC1C(CC(=O)O)OC(=O)C1(C)F.
What is the InChIKey of 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid?
The InChIKey is WFDUJQUXFSFMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO4/c1-4-5(3-6(10)11)13-7(12)8(4,2)9/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid?
2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid has a molecular weight of 190.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3,4-dimethyl-5-oxooxolan-2-yl)acetic acid is sourced from PubChem (CID 123678781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).