ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate

C13H12F2O4 — CID 102225579

IUPACethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc(OC)ccc2OC1(F)F
InChIInChI=1S/C13H12F2O4/c1-3-18-12(16)10-7-8-6-9(17-2)4-5-11(8)19-13(10,14)15/h4-7H,3H2,1-2H3
InChIKeyCFKWOYJCUQFUJH-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.63
Rot. Bonds3

About ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate

ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate (PubChem CID 102225579) has the molecular formula C13H12F2O4 and a molecular weight of 270.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
PubChem CID102225579
Molecular FormulaC13H12F2O4
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Nameethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc(OC)ccc2OC1(F)F
InChIInChI=1S/C13H12F2O4/c1-3-18-12(16)10-7-8-6-9(17-2)4-5-11(8)19-13(10,14)15/h4-7H,3H2,1-2H3
InChIKeyCFKWOYJCUQFUJH-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(bromomethyl)-4-methoxybenzoate
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diethyl 6-methoxyazulene-1,3-dicarboxylate
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ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 7-methoxy-2,2-dioxo-1,2λ6-benzoxathiine-3-carboxylate
CID 138966901
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 7-methoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 23128314
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate?
The IUPAC name of ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate (CID 102225579) is ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate.
What is the SMILES notation for ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate?
The canonical SMILES for ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate is CCOC(=O)C1=Cc2cc(OC)ccc2OC1(F)F.
What is the InChIKey of ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate?
The InChIKey is CFKWOYJCUQFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O4/c1-3-18-12(16)10-7-8-6-9(17-2)4-5-11(8)19-13(10,14)15/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate?
ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate has a molecular weight of 270.23 g/mol, XLogP of 2.63, 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-6-methoxychromene-3-carboxylate is sourced from PubChem (CID 102225579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).