2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone

C15H15FOS — CID 114969325

IUPAC2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(CC1CCCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FOS/c16-12-6-5-11-8-15(18-14(11)9-12)13(17)7-10-3-1-2-4-10/h5-6,8-10H,1-4,7H2
InChIKeyPHYDXMYYEIHXMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.80
Rot. Bonds3

About 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone

2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone (PubChem CID 114969325) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
PubChem CID114969325
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
SMILESO=C(CC1CCCC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FOS/c16-12-6-5-11-8-15(18-14(11)9-12)13(17)7-10-3-1-2-4-10/h5-6,8-10H,1-4,7H2
InChIKeyPHYDXMYYEIHXMT-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105102770
1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
CID 83136135
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566
[3-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104825
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
[2-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105096
6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 103860288
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 78979821
(6-fluoro-1-benzothiophen-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81104737
N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 114312010

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone (CID 114969325) is 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone is O=C(CC1CCCC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
The InChIKey is PHYDXMYYEIHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c16-12-6-5-11-8-15(18-14(11)9-12)13(17)7-10-3-1-2-4-10/h5-6,8-10H,1-4,7H2.
What are the key properties of 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone?
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 114969325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).