2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid

C12H13FO3 — CID 83823159

IUPAC2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(7-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyHGEIKOGRSDCUQM-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.96
Rot. Bonds3

About 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid

2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid (PubChem CID 83823159) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
PubChem CID83823159
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(7-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKeyHGEIKOGRSDCUQM-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic 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

2-(3-pyridin-4-yloxolan-3-yl)acetic acid
CID 83820200
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
4-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,4-oxazepane
CID 45239153
2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
CID 115059052
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 45240615
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-(3-thiophen-2-yloxolan-3-yl)acetic acid
CID 83821135
2-[1-(3-fluorophenyl)cyclobutyl]acetamide
CID 121344932
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
1-[2-[[3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 45173361
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid (CID 83823159) is 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid is O=C(O)CC1(c2cccc(F)c2)CCOC1.
What is the InChIKey of 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid?
The InChIKey is HGEIKOGRSDCUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(7-11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8H2,(H,14,15).
What are the key properties of 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid?
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid has a molecular weight of 224.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid is sourced from PubChem (CID 83823159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).