1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

C13H11FO2S — CID 2381313

IUPAC1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2
InChIKeyGOPSMCZQCJFQEO-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone

1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 2381313) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID2381313
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2
InChIKeyGOPSMCZQCJFQEO-UHFFFAOYSA-N
XLogP3.53
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone (CID 2381313) is 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is O=C(CSCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is GOPSMCZQCJFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-11-5-3-10(4-6-11)13(15)9-17-8-12-2-1-7-16-12/h1-7H,8-9H2.
What are the key properties of 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone?
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 250.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 2381313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).