2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone

C16H14ClFOS — CID 106847868

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFOS/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9H,2,10H2,1H3
InChIKeyZHHLHXDKZIYFOB-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.02
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106847868) has the molecular formula C16H14ClFOS and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106847868
Molecular FormulaC16H14ClFOS
Molecular Weight308.81 g/mol
Exact Mass308.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H14ClFOS/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9H,2,10H2,1H3
InChIKeyZHHLHXDKZIYFOB-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106266342
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone (CID 106847868) is 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is ZHHLHXDKZIYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFOS/c1-2-20-12-8-6-11(7-9-12)16(19)10-13-14(17)4-3-5-15(13)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 308.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106847868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).