1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol

C16H21FOS — CID 115783093

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H21FOS/c1-2-3-4-5-6-7-14(18)16-10-12-8-9-13(17)11-15(12)19-16/h8-11,14,18H,2-7H2,1H3
InChIKeyJHJFHEPJEZEBLK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.43
Rot. Bonds7

About 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol

1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol (PubChem CID 115783093) has the molecular formula C16H21FOS and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
PubChem CID115783093
Molecular FormulaC16H21FOS
Molecular Weight280.41 g/mol
Exact Mass280.13
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H21FOS/c1-2-3-4-5-6-7-14(18)16-10-12-8-9-13(17)11-15(12)19-16/h8-11,14,18H,2-7H2,1H3
InChIKeyJHJFHEPJEZEBLK-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol (CID 115783093) is 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol is CCCCCCCC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol?
The InChIKey is JHJFHEPJEZEBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FOS/c1-2-3-4-5-6-7-14(18)16-10-12-8-9-13(17)11-15(12)19-16/h8-11,14,18H,2-7H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol?
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol is sourced from PubChem (CID 115783093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).