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

C13H11F8O3-5 — CID 159983159

IUPAC8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
SMILESCCc1cccc2c1OC(C(F)(F)F)C(C(=O)O)=C2.[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C13H11F3O3.5FH/c1-2-7-4-3-5-8-6-9(12(17)18)11(13(14,15)16)19-10(7)8;;;;;/h3-6,11H,2H2,1H3,(H,17,18);5*1H/p-5
InChIKeyOGAMAIQHIPEMBK-UHFFFAOYSA-I
MW367.21 g/mol
LogP-11.94
Rot. Bonds2

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

8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride (PubChem CID 159983159) has the molecular formula C13H11F8O3-5 and a molecular weight of 367.21 g/mol. Its IUPAC name is 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride.

Molecular Properties

Compound Name8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
PubChem CID159983159
Molecular FormulaC13H11F8O3-5
Molecular Weight367.21 g/mol
Exact Mass367.06
IUPAC Name8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
SMILESCCc1cccc2c1OC(C(F)(F)F)C(C(=O)O)=C2.[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C13H11F3O3.5FH/c1-2-7-4-3-5-8-6-9(12(17)18)11(13(14,15)16)19-10(7)8;;;;;/h3-6,11H,2H2,1H3,(H,17,18);5*1H/p-5
InChIKeyOGAMAIQHIPEMBK-UHFFFAOYSA-I
XLogP-11.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 5-11.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[8-ethyl-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
CID 70003373
8-ethyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 118222220
5-chloro-8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 154393503
sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
CID 174500739
2-ethoxyphenol;8-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 159544481
(2S)-8-ethyl-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 158478916
8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
CID 87870468
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320
8-tert-butyl-6-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 157276410
6-chloro-7-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethane
CID 142971023
7-hexoxy-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 174486787
8-butyl-5,6,7-trichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11153917

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride?
The IUPAC name of 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride (CID 159983159) is 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride.
What is the SMILES notation for 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride?
The canonical SMILES for 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride is CCc1cccc2c1OC(C(F)(F)F)C(C(=O)O)=C2.[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride?
The InChIKey is OGAMAIQHIPEMBK-UHFFFAOYSA-I. The full InChI is InChI=1S/C13H11F3O3.5FH/c1-2-7-4-3-5-8-6-9(12(17)18)11(13(14,15)16)19-10(7)8;;;;;/h3-6,11H,2H2,1H3,(H,17,18);5*1H/p-5.
What are the key properties of 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride?
8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride has a molecular weight of 367.21 g/mol, XLogP of -11.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride is sourced from PubChem (CID 159983159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).