1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol

C11H7F5O2 — CID 166532490

IUPAC1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
SMILESCc1c(C(O)C(F)(F)F)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H7F5O2/c1-4-6-2-5(12)3-7(13)9(6)18-8(4)10(17)11(14,15)16/h2-3,10,17H,1H3
InChIKeyGUFYDCUCOHJGSG-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.62
Rot. Bonds1

About 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol

1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol (PubChem CID 166532490) has the molecular formula C11H7F5O2 and a molecular weight of 266.16 g/mol. Its IUPAC name is 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
PubChem CID166532490
Molecular FormulaC11H7F5O2
Molecular Weight266.16 g/mol
Exact Mass266.04
IUPAC Name1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
SMILESCc1c(C(O)C(F)(F)F)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H7F5O2/c1-4-6-2-5(12)3-7(13)9(6)18-8(4)10(17)11(14,15)16/h2-3,10,17H,1H3
InChIKeyGUFYDCUCOHJGSG-UHFFFAOYSA-N
XLogP3.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.62
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-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol (CID 166532490) is 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol is Cc1c(C(O)C(F)(F)F)oc2c(F)cc(F)cc12.
What is the InChIKey of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is GUFYDCUCOHJGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5O2/c1-4-6-2-5(12)3-7(13)9(6)18-8(4)10(17)11(14,15)16/h2-3,10,17H,1H3.
What are the key properties of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol?
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 266.16 g/mol, XLogP of 3.62, 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-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 166532490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).