(5,7-difluoro-1-benzofuran-4-yl)methanol

C9H6F2O2 — CID 117279692

IUPAC(5,7-difluoro-1-benzofuran-4-yl)methanol
SMILESOCc1c(F)cc(F)c2occc12
InChIInChI=1S/C9H6F2O2/c10-7-3-8(11)9-5(1-2-13-9)6(7)4-12/h1-3,12H,4H2
InChIKeyVPYAVWICCOQZFK-UHFFFAOYSA-N
MW184.14 g/mol
LogP2.20
Rot. Bonds1

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

(5,7-difluoro-1-benzofuran-4-yl)methanol (PubChem CID 117279692) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is (5,7-difluoro-1-benzofuran-4-yl)methanol.

Molecular Properties

Compound Name(5,7-difluoro-1-benzofuran-4-yl)methanol
PubChem CID117279692
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name(5,7-difluoro-1-benzofuran-4-yl)methanol
SMILESOCc1c(F)cc(F)c2occc12
InChIInChI=1S/C9H6F2O2/c10-7-3-8(11)9-5(1-2-13-9)6(7)4-12/h1-3,12H,4H2
InChIKeyVPYAVWICCOQZFK-UHFFFAOYSA-N
XLogP2.20
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-1-benzofuran-4-yl)methanol?
The IUPAC name of (5,7-difluoro-1-benzofuran-4-yl)methanol (CID 117279692) is (5,7-difluoro-1-benzofuran-4-yl)methanol.
What is the SMILES notation for (5,7-difluoro-1-benzofuran-4-yl)methanol?
The canonical SMILES for (5,7-difluoro-1-benzofuran-4-yl)methanol is OCc1c(F)cc(F)c2occc12.
What is the InChIKey of (5,7-difluoro-1-benzofuran-4-yl)methanol?
The InChIKey is VPYAVWICCOQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-7-3-8(11)9-5(1-2-13-9)6(7)4-12/h1-3,12H,4H2.
What are the key properties of (5,7-difluoro-1-benzofuran-4-yl)methanol?
(5,7-difluoro-1-benzofuran-4-yl)methanol has a molecular weight of 184.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-1-benzofuran-4-yl)methanol is sourced from PubChem (CID 117279692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).