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

C13H10ClF3O3 — CID 154393503

IUPAC5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C13H10ClF3O3/c1-2-6-3-4-9(14)7-5-8(12(18)19)11(13(15,16)17)20-10(6)7/h3-5,11H,2H2,1H3,(H,18,19)
InChIKeyANNXEAIEFWOTCZ-UHFFFAOYSA-N
MW306.67 g/mol
LogP3.69
Rot. Bonds2

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

5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 154393503) has the molecular formula C13H10ClF3O3 and a molecular weight of 306.67 g/mol. Its IUPAC name is 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID154393503
Molecular FormulaC13H10ClF3O3
Molecular Weight306.67 g/mol
Exact Mass306.03
IUPAC Name5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCCc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C13H10ClF3O3/c1-2-6-3-4-9(14)7-5-8(12(18)19)11(13(15,16)17)20-10(6)7/h3-5,11H,2H2,1H3,(H,18,19)
InChIKeyANNXEAIEFWOTCZ-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11404950
8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
CID 159983159
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023
5,6,7-trichloro-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934820
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
8-butyl-5,6,7-trichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11153917
5,8-dichloro-6,7-dimethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11417441
8-ethyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 118222220
5,6,7-trichloro-8-propoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934934
sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
CID 174500739
(2S)-8-ethyl-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 158478916
5-bromo-8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 154393503) is 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is CCc1ccc(Cl)c2c1OC(C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is ANNXEAIEFWOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3O3/c1-2-6-3-4-9(14)7-5-8(12(18)19)11(13(15,16)17)20-10(6)7/h3-5,11H,2H2,1H3,(H,18,19).
What are the key properties of 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 306.67 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 154393503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).