ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate

C14H14F2O4 — CID 162398359

IUPACethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cc2c(cc1C)C(=O)CCO2
InChIInChI=1S/C14H14F2O4/c1-3-19-13(18)14(15,16)10-7-12-9(6-8(10)2)11(17)4-5-20-12/h6-7H,3-5H2,1-2H3
InChIKeyDUVVSCOQRGPLGY-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.62
Rot. Bonds3

About ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate

ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate (PubChem CID 162398359) has the molecular formula C14H14F2O4 and a molecular weight of 284.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate
PubChem CID162398359
Molecular FormulaC14H14F2O4
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Nameethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cc2c(cc1C)C(=O)CCO2
InChIInChI=1S/C14H14F2O4/c1-3-19-13(18)14(15,16)10-7-12-9(6-8(10)2)11(17)4-5-20-12/h6-7H,3-5H2,1-2H3
InChIKeyDUVVSCOQRGPLGY-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate (CID 162398359) is ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate is CCOC(=O)C(F)(F)c1cc2c(cc1C)C(=O)CCO2.
What is the InChIKey of ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate?
The InChIKey is DUVVSCOQRGPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O4/c1-3-19-13(18)14(15,16)10-7-12-9(6-8(10)2)11(17)4-5-20-12/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate?
ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate has a molecular weight of 284.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate is sourced from PubChem (CID 162398359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).