2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone

C13H10ClFOS — CID 82802930

IUPAC2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(Cl)c2F)cs1
InChIInChI=1S/C13H10ClFOS/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7H,6H2,1H3
InChIKeyMVTLFRWCFHSWTD-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.27
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone (PubChem CID 82802930) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
PubChem CID82802930
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(Cl)c2F)cs1
InChIInChI=1S/C13H10ClFOS/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7H,6H2,1H3
InChIKeyMVTLFRWCFHSWTD-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099356
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976016
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-methylphenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099524
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone (CID 82802930) is 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone is Cc1cc(C(=O)Cc2cccc(Cl)c2F)cs1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone?
The InChIKey is MVTLFRWCFHSWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone has a molecular weight of 268.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 82802930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).