1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol

C15H17FO2 — CID 114724210

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H17FO2/c1-14(2)6-3-7-15(14,17)13-9-10-8-11(16)4-5-12(10)18-13/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOORFSHGFWGFLLX-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.97
Rot. Bonds1

About 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol

1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 114724210) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol
PubChem CID114724210
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol
SMILESCC1(C)CCCC1(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H17FO2/c1-14(2)6-3-7-15(14,17)13-9-10-8-11(16)4-5-12(10)18-13/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOORFSHGFWGFLLX-UHFFFAOYSA-N
XLogP3.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol 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 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol (CID 114724210) is 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol is CC1(C)CCCC1(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is OORFSHGFWGFLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-14(2)6-3-7-15(14,17)13-9-10-8-11(16)4-5-12(10)18-13/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol?
1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 248.30 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 114724210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).