5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C13H9Cl2F3O4 — CID 11245248

IUPAC5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCOc1c(Cl)cc2c(c1Cl)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C13H9Cl2F3O4/c1-2-21-10-7(14)4-8-5(9(10)15)3-6(12(19)20)11(22-8)13(16,17)18/h3-4,11H,2H2,1H3,(H,19,20)
InChIKeyVWBQYZRKPRWBJV-UHFFFAOYSA-N
MW357.11 g/mol
LogP4.18
Rot. Bonds3

About 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11245248) has the molecular formula C13H9Cl2F3O4 and a molecular weight of 357.11 g/mol. Its IUPAC name is 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11245248
Molecular FormulaC13H9Cl2F3O4
Molecular Weight357.11 g/mol
Exact Mass355.98
IUPAC Name5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCOc1c(Cl)cc2c(c1Cl)C=C(C(=O)O)C(C(F)(F)F)O2
InChIInChI=1S/C13H9Cl2F3O4/c1-2-21-10-7(14)4-8-5(9(10)15)3-6(12(19)20)11(22-8)13(16,17)18/h3-4,11H,2H2,1H3,(H,19,20)
InChIKeyVWBQYZRKPRWBJV-UHFFFAOYSA-N
XLogP4.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5,7-dichloro-6-propan-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;5,7-dichloro-6-propan-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 159483702
5,6,7-trichloro-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934820
6-chloro-5,7-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11609224
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023
5,8-dichloro-6,7-dimethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11417441
5,6,7-trichloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934934
5,7-dichloro-6-ethoxy-2H-chromene-3-carboxylic acid
CID 142947318
6-chloro-7-pentyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142650160
6-chloro-7-propan-2-yl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10471276
(2S)-6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934514
5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11404950
5-bromo-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934559

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11245248) is 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is CCOc1c(Cl)cc2c(c1Cl)C=C(C(=O)O)C(C(F)(F)F)O2.
What is the InChIKey of 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is VWBQYZRKPRWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3O4/c1-2-21-10-7(14)4-8-5(9(10)15)3-6(12(19)20)11(22-8)13(16,17)18/h3-4,11H,2H2,1H3,(H,19,20).
What are the key properties of 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 357.11 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11245248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).