1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone

C16H19FO2S — CID 141165176

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone
SMILESCOC1CCC(C(C(=O)C2CC2)c2ccccc2F)S1
InChIInChI=1S/C16H19FO2S/c1-19-14-9-8-13(20-14)15(16(18)10-6-7-10)11-4-2-3-5-12(11)17/h2-5,10,13-15H,6-9H2,1H3
InChIKeyQLWBUHWYMGGHCN-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone (PubChem CID 141165176) has the molecular formula C16H19FO2S and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone
PubChem CID141165176
Molecular FormulaC16H19FO2S
Molecular Weight294.39 g/mol
Exact Mass294.11
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone
SMILESCOC1CCC(C(C(=O)C2CC2)c2ccccc2F)S1
InChIInChI=1S/C16H19FO2S/c1-19-14-9-8-13(20-14)15(16(18)10-6-7-10)11-4-2-3-5-12(11)17/h2-5,10,13-15H,6-9H2,1H3
InChIKeyQLWBUHWYMGGHCN-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone (CID 141165176) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone is COC1CCC(C(C(=O)C2CC2)c2ccccc2F)S1.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone?
The InChIKey is QLWBUHWYMGGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2S/c1-19-14-9-8-13(20-14)15(16(18)10-6-7-10)11-4-2-3-5-12(11)17/h2-5,10,13-15H,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone has a molecular weight of 294.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-methoxythiolan-2-yl)ethanone is sourced from PubChem (CID 141165176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).