1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol

C11H8F2O2 — CID 117299803

IUPAC1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol
SMILESOC1(c2c(F)cc(F)c3occc23)CC1
InChIInChI=1S/C11H8F2O2/c12-7-5-8(13)10-6(1-4-15-10)9(7)11(14)2-3-11/h1,4-5,14H,2-3H2
InChIKeyGUIVJKMVNJLRDO-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.69
Rot. Bonds1

About 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol

1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol (PubChem CID 117299803) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol
PubChem CID117299803
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol
SMILESOC1(c2c(F)cc(F)c3occc23)CC1
InChIInChI=1S/C11H8F2O2/c12-7-5-8(13)10-6(1-4-15-10)9(7)11(14)2-3-11/h1,4-5,14H,2-3H2
InChIKeyGUIVJKMVNJLRDO-UHFFFAOYSA-N
XLogP2.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol?
The IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol (CID 117299803) is 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol is OC1(c2c(F)cc(F)c3occc23)CC1.
What is the InChIKey of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol?
The InChIKey is GUIVJKMVNJLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c12-7-5-8(13)10-6(1-4-15-10)9(7)11(14)2-3-11/h1,4-5,14H,2-3H2.
What are the key properties of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol?
1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol has a molecular weight of 210.18 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 117299803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).