5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C14H12ClF3O4 — CID 11404950

IUPAC5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCCOc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C14H12ClF3O4/c1-2-5-21-10-4-3-9(15)7-6-8(13(19)20)12(14(16,17)18)22-11(7)10/h3-4,6,12H,2,5H2,1H3,(H,19,20)
InChIKeyVZJKMDJGGAPBEY-UHFFFAOYSA-N
MW336.69 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11404950) has the molecular formula C14H12ClF3O4 and a molecular weight of 336.69 g/mol. Its IUPAC name is 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11404950
Molecular FormulaC14H12ClF3O4
Molecular Weight336.69 g/mol
Exact Mass336.04
IUPAC Name5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCCOc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C14H12ClF3O4/c1-2-5-21-10-4-3-9(15)7-6-8(13(19)20)12(14(16,17)18)22-11(7)10/h3-4,6,12H,2,5H2,1H3,(H,19,20)
InChIKeyVZJKMDJGGAPBEY-UHFFFAOYSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-8-propoxy-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

5,6,7-trichloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934934
5-bromo-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934559
7-hexoxy-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 174486787
5,6,7-trichloro-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934820
5,8-dichloro-6,7-dimethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11417441
2-ethoxyphenol;8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 159544481
8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
CID 159983159
6-chloro-7-(2,2-dimethylpropoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934603
8-methyl-7-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934502
(2R)-6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934594
(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11533484
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11404950) is 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is CCCOc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is VZJKMDJGGAPBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3O4/c1-2-5-21-10-4-3-9(15)7-6-8(13(19)20)12(14(16,17)18)22-11(7)10/h3-4,6,12H,2,5H2,1H3,(H,19,20).
What are the key properties of 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 336.69 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11404950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).