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

C13H15FO2 — CID 114723732

IUPAC1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
SMILESCCCCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H15FO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h4-6,8,11,15H,2-3,7H2,1H3
InChIKeyRCWONFVSVDSXMW-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.80
Rot. Bonds4

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

1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol (PubChem CID 114723732) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
PubChem CID114723732
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
SMILESCCCCC(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H15FO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h4-6,8,11,15H,2-3,7H2,1H3
InChIKeyRCWONFVSVDSXMW-UHFFFAOYSA-N
XLogP3.80
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
(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
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 114726469
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol (CID 114723732) is 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol is CCCCC(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol?
The InChIKey is RCWONFVSVDSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-2-3-7-11(15)12-8-9-5-4-6-10(14)13(9)16-12/h4-6,8,11,15H,2-3,7H2,1H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol?
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol is sourced from PubChem (CID 114723732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).