1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one

C10H10ClFOS — CID 105396768

IUPAC1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFOS/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3
InChIKeyGGXKKSSGTMFFPG-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one

1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one (PubChem CID 105396768) has the molecular formula C10H10ClFOS and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
PubChem CID105396768
Molecular FormulaC10H10ClFOS
Molecular Weight232.71 g/mol
Exact Mass232.01
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFOS/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3
InChIKeyGGXKKSSGTMFFPG-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
5-fluoro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28779503
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
1-(2-bromo-4-chlorophenyl)-3-methylsulfanylpropan-1-one
CID 107988698
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one (CID 105396768) is 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one is CSCCC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one?
The InChIKey is GGXKKSSGTMFFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFOS/c1-14-5-4-10(13)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one?
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one has a molecular weight of 232.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 105396768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).