(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C12H9F3O4 — CID 124673363

IUPAC(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCOc1ccc2c(c1)O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F3O4/c1-18-7-3-2-6-4-8(11(16)17)10(12(13,14)15)19-9(6)5-7/h2-5,10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyLQHCCNCEUMSNGI-SNVBAGLBSA-N
MW274.19 g/mol
LogP2.49
Rot. Bonds2

About (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 124673363) has the molecular formula C12H9F3O4 and a molecular weight of 274.19 g/mol. Its IUPAC name is (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID124673363
Molecular FormulaC12H9F3O4
Molecular Weight274.19 g/mol
Exact Mass274.05
IUPAC Name(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCOc1ccc2c(c1)O[C@@H](C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F3O4/c1-18-7-3-2-6-4-8(11(16)17)10(12(13,14)15)19-9(6)5-7/h2-5,10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyLQHCCNCEUMSNGI-SNVBAGLBSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-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

(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54486081
7-(2,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11200014
(2S)-7-(2,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934688
6-iodo-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934724
(2S)-2-(trifluoromethyl)-2H-benzo[g]chromene-3-carboxylic acid
CID 54085707
7-(1-phenylethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934997
6-chloro-7-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11327472
7-(2-ethoxy-4-formylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 87889434
7-pyrrolidin-1-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934939
7-(2-fluoro-4-nitrophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934550
(2R)-6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934594
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320

Frequently Asked Questions

What is the IUPAC name of (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 124673363) is (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is COc1ccc2c(c1)O[C@@H](C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is LQHCCNCEUMSNGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H9F3O4/c1-18-7-3-2-6-4-8(11(16)17)10(12(13,14)15)19-9(6)5-7/h2-5,10H,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 274.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 124673363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).