2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

C14H13FOS — CID 105102770

IUPAC2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(CC1CCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H13FOS/c15-11-4-5-13-10(7-11)8-14(17-13)12(16)6-9-2-1-3-9/h4-5,7-9H,1-3,6H2
InChIKeyGGOMXWJWTJVNDG-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.41
Rot. Bonds3

About 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone

2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (PubChem CID 105102770) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
PubChem CID105102770
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(CC1CCC1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H13FOS/c15-11-4-5-13-10(7-11)8-14(17-13)12(16)6-9-2-1-3-9/h4-5,7-9H,1-3,6H2
InChIKeyGGOMXWJWTJVNDG-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
1-(5-fluoro-1-benzothiophen-2-yl)but-3-yn-1-one
CID 105076300
1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
CID 83136135
2-(3,4-difluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105124554
1-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157858
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
1-(5-fluoro-1-benzothiophen-2-yl)hex-5-yn-1-one
CID 105127502
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-(5-fluoro-1-benzothiophen-2-yl)-2-methylpentan-1-one
CID 107891211
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone (CID 105102770) is 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is O=C(CC1CCC1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
The InChIKey is GGOMXWJWTJVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c15-11-4-5-13-10(7-11)8-14(17-13)12(16)6-9-2-1-3-9/h4-5,7-9H,1-3,6H2.
What are the key properties of 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone?
2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone has a molecular weight of 248.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 105102770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).