2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone

C15H12ClFOS — CID 2437321

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone
SMILESO=C(CSCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C15H12ClFOS/c16-12-7-5-11(6-8-12)9-19-10-15(18)13-3-1-2-4-14(13)17/h1-8H,9-10H2
InChIKeyLGGFEHJLWIVYKH-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.60
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone

2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone (PubChem CID 2437321) has the molecular formula C15H12ClFOS and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone
PubChem CID2437321
Molecular FormulaC15H12ClFOS
Molecular Weight294.78 g/mol
Exact Mass294.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone
SMILESO=C(CSCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C15H12ClFOS/c16-12-7-5-11(6-8-12)9-19-10-15(18)13-3-1-2-4-14(13)17/h1-8H,9-10H2
InChIKeyLGGFEHJLWIVYKH-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone (CID 2437321) is 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone is O=C(CSCc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone?
The InChIKey is LGGFEHJLWIVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS/c16-12-7-5-11(6-8-12)9-19-10-15(18)13-3-1-2-4-14(13)17/h1-8H,9-10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone?
2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone has a molecular weight of 294.78 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 2437321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).