8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine

C19H15F6NO4 — CID 87870468

IUPAC8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
SMILESCCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2.c1ccncc1
InChIInChI=1S/C14H10F6O4.C5H5N/c1-2-6-3-8(24-14(18,19)20)4-7-5-9(12(21)22)11(13(15,16)17)23-10(6)7;1-2-4-6-5-3-1/h3-5,11H,2H2,1H3,(H,21,22);1-5H
InChIKeyGCDGHLKEEQXKDX-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.02
Rot. Bonds3

About 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine

8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine (PubChem CID 87870468) has the molecular formula C19H15F6NO4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine.

Molecular Properties

Compound Name8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
PubChem CID87870468
Molecular FormulaC19H15F6NO4
Molecular Weight435.32 g/mol
Exact Mass435.09
IUPAC Name8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine
SMILESCCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2.c1ccncc1
InChIInChI=1S/C14H10F6O4.C5H5N/c1-2-6-3-8(24-14(18,19)20)4-7-5-9(12(21)22)11(13(15,16)17)23-10(6)7;1-2-4-6-5-3-1/h3-5,11H,2H2,1H3,(H,21,22);1-5H
InChIKeyGCDGHLKEEQXKDX-UHFFFAOYSA-N
XLogP5.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine?
The IUPAC name of 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine (CID 87870468) is 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine.
What is the SMILES notation for 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine?
The canonical SMILES for 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine is CCc1cc(OC(F)(F)F)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2.c1ccncc1.
What is the InChIKey of 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine?
The InChIKey is GCDGHLKEEQXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6O4.C5H5N/c1-2-6-3-8(24-14(18,19)20)4-7-5-9(12(21)22)11(13(15,16)17)23-10(6)7;1-2-4-6-5-3-1/h3-5,11H,2H2,1H3,(H,21,22);1-5H.
What are the key properties of 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine?
8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine has a molecular weight of 435.32 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;pyridine is sourced from PubChem (CID 87870468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).