ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate

C15H15F3O3 — CID 151697551

IUPACethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2OC1(CC)C(F)(F)F
InChIInChI=1S/C15H15F3O3/c1-3-14(15(16,17)18)11(13(19)20-4-2)9-10-7-5-6-8-12(10)21-14/h5-9H,3-4H2,1-2H3
InChIKeyRDWQSKIRSSFCIH-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.74
Rot. Bonds3

About ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate

ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate (PubChem CID 151697551) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
PubChem CID151697551
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Nameethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2OC1(CC)C(F)(F)F
InChIInChI=1S/C15H15F3O3/c1-3-14(15(16,17)18)11(13(19)20-4-2)9-10-7-5-6-8-12(10)21-14/h5-9H,3-4H2,1-2H3
InChIKeyRDWQSKIRSSFCIH-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-methylchromene-3-carboxylate
CID 102081434
ethyl (2S)-2-propoxy-2-(trifluoromethyl)chromene-3-carboxylate
CID 99992666
ethyl 3-hydroxy-2-methylchromene-2-carboxylate
CID 151498146
2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 151952299
ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
CID 102225579
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(3-methylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774329
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
6-bromo-8-ethoxy-2-ethyl-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 161085635
1-(2-methoxy-2-methylchromen-3-yl)ethanone
CID 102125757
2-(3-methylbutylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141097825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate (CID 151697551) is ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate is CCOC(=O)C1=Cc2ccccc2OC1(CC)C(F)(F)F.
What is the InChIKey of ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate?
The InChIKey is RDWQSKIRSSFCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3/c1-3-14(15(16,17)18)11(13(19)20-4-2)9-10-7-5-6-8-12(10)21-14/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate?
ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate has a molecular weight of 300.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate is sourced from PubChem (CID 151697551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).