2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone

C14H13FOS — CID 55181131

IUPAC2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H13FOS/c1-2-10-7-8-11(17-10)9-14(16)12-5-3-4-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyDPIMSJASRHLRBX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.88
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 55181131) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
PubChem CID55181131
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H13FOS/c1-2-10-7-8-11(17-10)9-14(16)12-5-3-4-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyDPIMSJASRHLRBX-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone (CID 55181131) is 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone is CCc1ccc(CC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is DPIMSJASRHLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-2-10-7-8-11(17-10)9-14(16)12-5-3-4-6-13(12)15/h3-8H,2,9H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 248.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 55181131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).