1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one

C11H13FOS — CID 43802012

IUPAC1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
SMILESCCSCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyVDUGRLHECSXUDL-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.69
Rot. Bonds5

About 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one

1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one (PubChem CID 43802012) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
PubChem CID43802012
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
SMILESCCSCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyVDUGRLHECSXUDL-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-ethylsulfanylpropan-2-one
CID 65130363
1-(4-fluorophenyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpropan-2-one
CID 66103856
1-butan-2-ylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802024
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
CID 106495067
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-propylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 65129885
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
CID 102857196

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one (CID 43802012) is 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one is CCSCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one?
The InChIKey is VDUGRLHECSXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one?
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 43802012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).