2-(3-fluorooxolan-3-yl)acetic acid

C6H9FO3 — CID 83815288

IUPAC2-(3-fluorooxolan-3-yl)acetic acid
SMILESO=C(O)CC1(F)CCOC1
InChIInChI=1S/C6H9FO3/c7-6(3-5(8)9)1-2-10-4-6/h1-4H2,(H,8,9)
InChIKeyPXLYEOWLEGNLCL-UHFFFAOYSA-N
MW148.13 g/mol
LogP0.59
Rot. Bonds2

About 2-(3-fluorooxolan-3-yl)acetic acid

2-(3-fluorooxolan-3-yl)acetic acid (PubChem CID 83815288) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(3-fluorooxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluorooxolan-3-yl)acetic acid
PubChem CID83815288
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(3-fluorooxolan-3-yl)acetic acid
SMILESO=C(O)CC1(F)CCOC1
InChIInChI=1S/C6H9FO3/c7-6(3-5(8)9)1-2-10-4-6/h1-4H2,(H,8,9)
InChIKeyPXLYEOWLEGNLCL-UHFFFAOYSA-N
XLogP0.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-fluorooxolan-3-yl)acetic acid (CID 83815288) is 2-(3-fluorooxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluorooxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluorooxolan-3-yl)acetic acid is O=C(O)CC1(F)CCOC1.
What is the InChIKey of 2-(3-fluorooxolan-3-yl)acetic acid?
The InChIKey is PXLYEOWLEGNLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c7-6(3-5(8)9)1-2-10-4-6/h1-4H2,(H,8,9).
What are the key properties of 2-(3-fluorooxolan-3-yl)acetic acid?
2-(3-fluorooxolan-3-yl)acetic acid has a molecular weight of 148.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorooxolan-3-yl)acetic acid is sourced from PubChem (CID 83815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).