2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid

C15H17FO3 — CID 104509235

IUPAC2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccc(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H17FO3/c16-12-3-1-2-10(8-12)9-15(14(17)18)6-7-19-13(15)11-4-5-11/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyNUIYDXSGQGMQAI-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.64
Rot. Bonds4

About 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid

2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid (PubChem CID 104509235) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
PubChem CID104509235
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2cccc(F)c2)CCOC1C1CC1
InChIInChI=1S/C15H17FO3/c16-12-3-1-2-10(8-12)9-15(14(17)18)6-7-19-13(15)11-4-5-11/h1-3,8,11,13H,4-7,9H2,(H,17,18)
InChIKeyNUIYDXSGQGMQAI-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic 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-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
4-[(3-fluorophenyl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65409083
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
[(3aR,4R,6aS)-4-[(3-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-phenyloxan-4-yl)methanone
CID 110138743
(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 164695568
(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-(2-methyl-2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 164694461
3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
4-[[4-[(3-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024702
1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
CID 104509214

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid (CID 104509235) is 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(Cc2cccc(F)c2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid?
The InChIKey is NUIYDXSGQGMQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c16-12-3-1-2-10(8-12)9-15(14(17)18)6-7-19-13(15)11-4-5-11/h1-3,8,11,13H,4-7,9H2,(H,17,18).
What are the key properties of 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid?
2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 104509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).