ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate

C13H12F2O4 — CID 150221681

IUPACethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate
SMILESCCOC(=O)c1cc(OC(F)F)cc2cc(C)oc12
InChIInChI=1S/C13H12F2O4/c1-3-17-12(16)10-6-9(19-13(14)15)5-8-4-7(2)18-11(8)10/h4-6,13H,3H2,1-2H3
InChIKeyFTPSXYSFAKDCNB-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.52
Rot. Bonds4

About ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate

ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate (PubChem CID 150221681) has the molecular formula C13H12F2O4 and a molecular weight of 270.23 g/mol. Its IUPAC name is ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate
PubChem CID150221681
Molecular FormulaC13H12F2O4
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Nameethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate
SMILESCCOC(=O)c1cc(OC(F)F)cc2cc(C)oc12
InChIInChI=1S/C13H12F2O4/c1-3-17-12(16)10-6-9(19-13(14)15)5-8-4-7(2)18-11(8)10/h4-6,13H,3H2,1-2H3
InChIKeyFTPSXYSFAKDCNB-UHFFFAOYSA-N
XLogP3.52
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyano-5-(difluoromethoxy)-2-methylbenzoate
CID 134651755
ethyl 3-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171004646
ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
CID 11288010
ethyl 2-(3-bromopropyl)-5-(difluoromethoxy)benzoate
CID 134643956
ethyl 3-(chloromethyl)-5-(difluoromethoxy)-2-nitrobenzoate
CID 171019459
ethyl 2-(bromomethyl)-5-(difluoromethoxy)-3-nitrobenzoate
CID 171017170
ethyl 2-amino-5-(difluoromethoxy)-4-methylbenzoate
CID 171011069
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210
ethyl 2-cyano-4-(difluoromethoxy)-5-methoxybenzoate
CID 134651672
ethyl 3-(3-bromopropanoyl)-5-(difluoromethoxy)benzoate
CID 134641311
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
ethyl 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylate
CID 10335058

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate?
The IUPAC name of ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate (CID 150221681) is ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate is CCOC(=O)c1cc(OC(F)F)cc2cc(C)oc12.
What is the InChIKey of ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate?
The InChIKey is FTPSXYSFAKDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O4/c1-3-17-12(16)10-6-9(19-13(14)15)5-8-4-7(2)18-11(8)10/h4-6,13H,3H2,1-2H3.
What are the key properties of ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate?
ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate has a molecular weight of 270.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethoxy)-2-methyl-1-benzofuran-7-carboxylate is sourced from PubChem (CID 150221681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).