1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol

C17H23FOS — CID 105085760

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H23FOS/c1-2-3-4-5-6-7-8-15(19)17-12-13-11-14(18)9-10-16(13)20-17/h9-12,15,19H,2-8H2,1H3
InChIKeyKRFUEZRWELVCQJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.82
Rot. Bonds8

About 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol

1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol (PubChem CID 105085760) has the molecular formula C17H23FOS and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
PubChem CID105085760
Molecular FormulaC17H23FOS
Molecular Weight294.44 g/mol
Exact Mass294.15
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H23FOS/c1-2-3-4-5-6-7-8-15(19)17-12-13-11-14(18)9-10-16(13)20-17/h9-12,15,19H,2-8H2,1H3
InChIKeyKRFUEZRWELVCQJ-UHFFFAOYSA-N
XLogP5.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.82
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-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028329
2-(2,5-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105081086
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
CID 105288337
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol (CID 105085760) is 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol is CCCCCCCCC(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol?
The InChIKey is KRFUEZRWELVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FOS/c1-2-3-4-5-6-7-8-15(19)17-12-13-11-14(18)9-10-16(13)20-17/h9-12,15,19H,2-8H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol?
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol is sourced from PubChem (CID 105085760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).