(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

C11H13FO2 — CID 58566323

IUPAC(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(CO)ccc(F)c2O1
InChIInChI=1S/C11H13FO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyWNCHPHOHTQKYIR-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.03
Rot. Bonds1

About (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (PubChem CID 58566323) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
PubChem CID58566323
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(CO)ccc(F)c2O1
InChIInChI=1S/C11H13FO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyWNCHPHOHTQKYIR-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The IUPAC name of (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (CID 58566323) is (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.
What is the SMILES notation for (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The canonical SMILES for (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is CC1(C)Cc2c(CO)ccc(F)c2O1.
What is the InChIKey of (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The InChIKey is WNCHPHOHTQKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-11(2)5-8-7(6-13)3-4-9(12)10(8)14-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
(7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol has a molecular weight of 196.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is sourced from PubChem (CID 58566323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).