2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol

C13H15FO2 — CID 114724331

IUPAC2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H15FO2/c1-3-7-13(2,15)11-8-9-5-4-6-10(14)12(9)16-11/h4-6,8,15H,3,7H2,1-2H3
InChIKeyQKBWFMZDAYLRMT-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.58
Rot. Bonds3

About 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol

2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol (PubChem CID 114724331) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
PubChem CID114724331
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H15FO2/c1-3-7-13(2,15)11-8-9-5-4-6-10(14)12(9)16-11/h4-6,8,15H,3,7H2,1-2H3
InChIKeyQKBWFMZDAYLRMT-UHFFFAOYSA-N
XLogP3.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
CID 114735205
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114723008
1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910683
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-tert-butyl-1-benzofuran-7-ol
CID 167376192
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
2-(5-fluoro-1-benzofuran-2-yl)heptan-2-ol
CID 114724338

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol (CID 114724331) is 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol is CCCC(C)(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol?
The InChIKey is QKBWFMZDAYLRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-3-7-13(2,15)11-8-9-5-4-6-10(14)12(9)16-11/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol?
2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol has a molecular weight of 222.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol is sourced from PubChem (CID 114724331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).