(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C13H5Cl2FOS2 — CID 81104851

IUPAC(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H5Cl2FOS2/c14-11-5-8(13(15)19-11)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H
InChIKeyJDJUAOPPKBZKTE-UHFFFAOYSA-N
MW331.22 g/mol
LogP5.64
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 81104851) has the molecular formula C13H5Cl2FOS2 and a molecular weight of 331.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID81104851
Molecular FormulaC13H5Cl2FOS2
Molecular Weight331.22 g/mol
Exact Mass329.91
IUPAC Name(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H5Cl2FOS2/c14-11-5-8(13(15)19-11)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H
InChIKeyJDJUAOPPKBZKTE-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.22
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81115002
(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106647478
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
6-fluoro-1-benzothiophene-2-carbonyl azide
CID 81105011
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 81104851) is (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2ccc(F)cc2s1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is JDJUAOPPKBZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2FOS2/c14-11-5-8(13(15)19-11)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 331.22 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 81104851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).