1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid

C11H12F3NO3 — CID 62549631

IUPAC1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-6-15(5-8(9)10(16)17)4-7-2-1-3-18-7/h5-7H,1-4H2,(H,16,17)
InChIKeySCEFQZOBCSAUMJ-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.38
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid

1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid (PubChem CID 62549631) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid
PubChem CID62549631
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-6-15(5-8(9)10(16)17)4-7-2-1-3-18-7/h5-7H,1-4H2,(H,16,17)
InChIKeySCEFQZOBCSAUMJ-UHFFFAOYSA-N
XLogP2.38
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-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

1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
2,2,2-trifluoro-1-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]ethanone
CID 129379137
5-(azocane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45182329
5-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxylic acid
CID 69020012
4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(oxolan-2-ylmethyl)piperazin-2-one
CID 25270801
1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875071
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanol
CID 79107610
3-N-cyclohexyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42373319
2-[methyl(oxolan-2-ylmethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702531

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid (CID 62549631) is 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid is O=C(O)c1cn(CC2CCCO2)cc1C(F)(F)F.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
The InChIKey is SCEFQZOBCSAUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)9-6-15(5-8(9)10(16)17)4-7-2-1-3-18-7/h5-7H,1-4H2,(H,16,17).
What are the key properties of 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid?
1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 62549631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).