2-(1,1-difluoroethyl)-1-benzofuran-5-ol

C10H8F2O2 — CID 84668029

IUPAC2-(1,1-difluoroethyl)-1-benzofuran-5-ol
SMILESCC(F)(F)c1cc2cc(O)ccc2o1
InChIInChI=1S/C10H8F2O2/c1-10(11,12)9-5-6-4-7(13)2-3-8(6)14-9/h2-5,13H,1H3
InChIKeyPBZIUEPAGKVKRC-UHFFFAOYSA-N
MW198.17 g/mol
LogP3.25
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1-benzofuran-5-ol

2-(1,1-difluoroethyl)-1-benzofuran-5-ol (PubChem CID 84668029) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-benzofuran-5-ol
PubChem CID84668029
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-(1,1-difluoroethyl)-1-benzofuran-5-ol
SMILESCC(F)(F)c1cc2cc(O)ccc2o1
InChIInChI=1S/C10H8F2O2/c1-10(11,12)9-5-6-4-7(13)2-3-8(6)14-9/h2-5,13H,1H3
InChIKeyPBZIUEPAGKVKRC-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-difluoroethyl)-1-benzofuran-6-ol
CID 84668031
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664
2-tert-butyl-1-benzofuran-5-amine
CID 123538577
6-hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
CID 24936041
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11682483
2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
CID 19092776
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
2-[5-(1-hydroxyethyl)-1-benzofuran-2-yl]propan-2-ol
CID 101417419
4-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733754

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(1,1-difluoroethyl)-1-benzofuran-5-ol (CID 84668029) is 2-(1,1-difluoroethyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-benzofuran-5-ol is CC(F)(F)c1cc2cc(O)ccc2o1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-benzofuran-5-ol?
The InChIKey is PBZIUEPAGKVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-10(11,12)9-5-6-4-7(13)2-3-8(6)14-9/h2-5,13H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-benzofuran-5-ol?
2-(1,1-difluoroethyl)-1-benzofuran-5-ol has a molecular weight of 198.17 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-benzofuran-5-ol is sourced from PubChem (CID 84668029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).