sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride

C15H16F3NaO3 — CID 174500739

IUPACsodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
SMILESCCc1cc2c(c(CC)c1)OC(C(F)(F)F)C(C(=O)O)=C2.[H-].[Na+]
InChIInChI=1S/C15H15F3O3.Na.H/c1-3-8-5-9(4-2)12-10(6-8)7-11(14(19)20)13(21-12)15(16,17)18;;/h5-7,13H,3-4H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyGUZXZRSTYXGHHZ-UHFFFAOYSA-N
MW324.27 g/mol
LogP0.72
Rot. Bonds3

About sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride

sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride (PubChem CID 174500739) has the molecular formula C15H16F3NaO3 and a molecular weight of 324.27 g/mol. Its IUPAC name is sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
PubChem CID174500739
Molecular FormulaC15H16F3NaO3
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC Namesodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
SMILESCCc1cc2c(c(CC)c1)OC(C(F)(F)F)C(C(=O)O)=C2.[H-].[Na+]
InChIInChI=1S/C15H15F3O3.Na.H/c1-3-8-5-9(4-2)12-10(6-8)7-11(14(19)20)13(21-12)15(16,17)18;;/h5-7,13H,3-4H2,1-2H3,(H,19,20);;/q;+1;-1
InChIKeyGUZXZRSTYXGHHZ-UHFFFAOYSA-N
XLogP0.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-6-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 157276410
8-ethyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 118222220
(2S)-8-ethyl-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 158478916
8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
CID 159983159
8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
CID 87870468
6-(pentafluoro-λ6-sulfanyl)-8-propyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 137412826
8-ethyl-6-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 154343038
methyl 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 154502126
ethane;6-ethyl-7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 142947320
(1R)-N-benzyl-1-phenylethanamine;(2R)-8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11635490
6,8-ditert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 10108917
6-bromo-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934890

Frequently Asked Questions

What is the IUPAC name of sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The IUPAC name of sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride (CID 174500739) is sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride.
What is the SMILES notation for sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The canonical SMILES for sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride is CCc1cc2c(c(CC)c1)OC(C(F)(F)F)C(C(=O)O)=C2.[H-].[Na+].
What is the InChIKey of sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
The InChIKey is GUZXZRSTYXGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3.Na.H/c1-3-8-5-9(4-2)12-10(6-8)7-11(14(19)20)13(21-12)15(16,17)18;;/h5-7,13H,3-4H2,1-2H3,(H,19,20);;/q;+1;-1.
What are the key properties of sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride?
sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride has a molecular weight of 324.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6,8-diethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride is sourced from PubChem (CID 174500739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).