3-(4-fluorooxolan-3-yl)propanoic acid

C7H11FO3 — CID 105431815

IUPAC3-(4-fluorooxolan-3-yl)propanoic acid
SMILESO=C(O)CCC1COCC1F
InChIInChI=1S/C7H11FO3/c8-6-4-11-3-5(6)1-2-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyDBVCVBOQDBVIGV-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.84
Rot. Bonds3

About 3-(4-fluorooxolan-3-yl)propanoic acid

3-(4-fluorooxolan-3-yl)propanoic acid (PubChem CID 105431815) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 3-(4-fluorooxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorooxolan-3-yl)propanoic acid
PubChem CID105431815
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name3-(4-fluorooxolan-3-yl)propanoic acid
SMILESO=C(O)CCC1COCC1F
InChIInChI=1S/C7H11FO3/c8-6-4-11-3-5(6)1-2-7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyDBVCVBOQDBVIGV-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorooxolan-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Furanpropanoic acid, tetrahydro-2-oxo-
CID 120842
3-(Oxolan-3-yl)propanoic acid
CID 284090
2-Methyl-3-(oxolan-3-yl)propanoic acid
CID 79418831
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
2-Fluoro-3-(oxolan-3-yl)propanoic acid
CID 81358381
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 61491508
4,4,4-Trifluoro-3-(oxolan-3-yl)butanoic acid
CID 63154797
2-Fluoro-2-(oxepan-4-yl)acetic acid
CID 81358280
2-(3-Fluorotetrahydrofuran-3-yl)acetic acid
CID 83815288
2-(4-Fluorooxolan-3-yl)acetic acid
CID 84763053
5-Fluorooxepane-4-carboxylic acid
CID 84764461
2-Fluoro-3-[4-(iodomethyl)oxolan-3-yl]propanoic acid
CID 101989494

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorooxolan-3-yl)propanoic acid?
The IUPAC name of 3-(4-fluorooxolan-3-yl)propanoic acid (CID 105431815) is 3-(4-fluorooxolan-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-fluorooxolan-3-yl)propanoic acid?
The canonical SMILES for 3-(4-fluorooxolan-3-yl)propanoic acid is O=C(O)CCC1COCC1F.
What is the InChIKey of 3-(4-fluorooxolan-3-yl)propanoic acid?
The InChIKey is DBVCVBOQDBVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-6-4-11-3-5(6)1-2-7(9)10/h5-6H,1-4H2,(H,9,10).
What are the key properties of 3-(4-fluorooxolan-3-yl)propanoic acid?
3-(4-fluorooxolan-3-yl)propanoic acid has a molecular weight of 162.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorooxolan-3-yl)propanoic acid is sourced from PubChem (CID 105431815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).