2-fluoro-2-(5-methyloxolan-3-yl)acetic acid

C7H11FO3 — CID 164648065

IUPAC2-fluoro-2-(5-methyloxolan-3-yl)acetic acid
SMILESCC1CC(C(F)C(=O)O)CO1
InChIInChI=1S/C7H11FO3/c1-4-2-5(3-11-4)6(8)7(9)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyMOIYSYGUEFKELP-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.83
Rot. Bonds2

About 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid

2-fluoro-2-(5-methyloxolan-3-yl)acetic acid (PubChem CID 164648065) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-methyloxolan-3-yl)acetic acid
PubChem CID164648065
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-2-(5-methyloxolan-3-yl)acetic acid
SMILESCC1CC(C(F)C(=O)O)CO1
InChIInChI=1S/C7H11FO3/c1-4-2-5(3-11-4)6(8)7(9)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyMOIYSYGUEFKELP-UHFFFAOYSA-N
XLogP0.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid (CID 164648065) is 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid is CC1CC(C(F)C(=O)O)CO1.
What is the InChIKey of 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid?
The InChIKey is MOIYSYGUEFKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-4-2-5(3-11-4)6(8)7(9)10/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid?
2-fluoro-2-(5-methyloxolan-3-yl)acetic acid has a molecular weight of 162.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-methyloxolan-3-yl)acetic acid is sourced from PubChem (CID 164648065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).