1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone

C12H8ClFOS — CID 80529734

IUPAC1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1sccc1Cl
InChIInChI=1S/C12H8ClFOS/c13-9-5-6-16-12(9)11(15)7-8-3-1-2-4-10(8)14/h1-6H,7H2
InChIKeyYFLAQSVDSLBKJQ-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.97
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone

1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 80529734) has the molecular formula C12H8ClFOS and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone
PubChem CID80529734
Molecular FormulaC12H8ClFOS
Molecular Weight254.71 g/mol
Exact Mass254.00
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1sccc1Cl
InChIInChI=1S/C12H8ClFOS/c13-9-5-6-16-12(9)11(15)7-8-3-1-2-4-10(8)14/h1-6H,7H2
InChIKeyYFLAQSVDSLBKJQ-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone (CID 80529734) is 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is YFLAQSVDSLBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFOS/c13-9-5-6-16-12(9)11(15)7-8-3-1-2-4-10(8)14/h1-6H,7H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone?
1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 254.71 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 80529734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).