6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid

C13H10F2O4 — CID 167006942

IUPAC6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(OC(F)F)cc(C3CC3)cc2o1
InChIInChI=1S/C13H10F2O4/c14-13(15)19-10-4-7(6-1-2-6)3-9-8(10)5-11(18-9)12(16)17/h3-6,13H,1-2H2,(H,16,17)
InChIKeySEWWAQKFJVIMCI-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.61
Rot. Bonds4

About 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid

6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid (PubChem CID 167006942) has the molecular formula C13H10F2O4 and a molecular weight of 268.21 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid
PubChem CID167006942
Molecular FormulaC13H10F2O4
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(OC(F)F)cc(C3CC3)cc2o1
InChIInChI=1S/C13H10F2O4/c14-13(15)19-10-4-7(6-1-2-6)3-9-8(10)5-11(18-9)12(16)17/h3-6,13H,1-2H2,(H,16,17)
InChIKeySEWWAQKFJVIMCI-UHFFFAOYSA-N
XLogP3.61
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid (CID 167006942) is 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(OC(F)F)cc(C3CC3)cc2o1.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid?
The InChIKey is SEWWAQKFJVIMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O4/c14-13(15)19-10-4-7(6-1-2-6)3-9-8(10)5-11(18-9)12(16)17/h3-6,13H,1-2H2,(H,16,17).
What are the key properties of 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid?
6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid has a molecular weight of 268.21 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethoxy)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 167006942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).