5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid

C12H11F3O3 — CID 71756298

IUPAC5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-4,9-10H,5-6H2,(H,16,17)
InChIKeyKNYUVAOBLKKMRE-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.01
Rot. Bonds2

About 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid

5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid (PubChem CID 71756298) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid
PubChem CID71756298
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-4,9-10H,5-6H2,(H,16,17)
InChIKeyKNYUVAOBLKKMRE-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R,5S)-5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylate
CID 96581599
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
2-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059916
3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150160
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 83397186
7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860242
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
5-[[5-bromo-2-(trifluoromethyl)anilino]methyl]oxolane-2-carboxylic acid
CID 107285612
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid (CID 71756298) is 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(c2ccccc2C(F)(F)F)O1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid?
The InChIKey is KNYUVAOBLKKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-4,9-10H,5-6H2,(H,16,17).
What are the key properties of 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid?
5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 71756298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).