2-ethyl-4,7-difluoro-1-benzofuran-3-ol

C10H8F2O2 — CID 175687482

IUPAC2-ethyl-4,7-difluoro-1-benzofuran-3-ol
SMILESCCc1oc2c(F)ccc(F)c2c1O
InChIInChI=1S/C10H8F2O2/c1-2-7-9(13)8-5(11)3-4-6(12)10(8)14-7/h3-4,13H,2H2,1H3
InChIKeyWHWKSWRNMZWYDZ-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.98
Rot. Bonds1

About 2-ethyl-4,7-difluoro-1-benzofuran-3-ol

2-ethyl-4,7-difluoro-1-benzofuran-3-ol (PubChem CID 175687482) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-ethyl-4,7-difluoro-1-benzofuran-3-ol.

Molecular Properties

Compound Name2-ethyl-4,7-difluoro-1-benzofuran-3-ol
PubChem CID175687482
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-ethyl-4,7-difluoro-1-benzofuran-3-ol
SMILESCCc1oc2c(F)ccc(F)c2c1O
InChIInChI=1S/C10H8F2O2/c1-2-7-9(13)8-5(11)3-4-6(12)10(8)14-7/h3-4,13H,2H2,1H3
InChIKeyWHWKSWRNMZWYDZ-UHFFFAOYSA-N
XLogP2.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-difluoro-1-benzofuran-3-ol?
The IUPAC name of 2-ethyl-4,7-difluoro-1-benzofuran-3-ol (CID 175687482) is 2-ethyl-4,7-difluoro-1-benzofuran-3-ol.
What is the SMILES notation for 2-ethyl-4,7-difluoro-1-benzofuran-3-ol?
The canonical SMILES for 2-ethyl-4,7-difluoro-1-benzofuran-3-ol is CCc1oc2c(F)ccc(F)c2c1O.
What is the InChIKey of 2-ethyl-4,7-difluoro-1-benzofuran-3-ol?
The InChIKey is WHWKSWRNMZWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-2-7-9(13)8-5(11)3-4-6(12)10(8)14-7/h3-4,13H,2H2,1H3.
What are the key properties of 2-ethyl-4,7-difluoro-1-benzofuran-3-ol?
2-ethyl-4,7-difluoro-1-benzofuran-3-ol has a molecular weight of 198.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-difluoro-1-benzofuran-3-ol is sourced from PubChem (CID 175687482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).