2-(2-fluorophenyl)-1-thiophen-3-ylethanone

C12H9FOS — CID 60799392

IUPAC2-(2-fluorophenyl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1ccccc1F)c1ccsc1
InChIInChI=1S/C12H9FOS/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2
InChIKeyXYPPVEXAGOISNJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-fluorophenyl)-1-thiophen-3-ylethanone

2-(2-fluorophenyl)-1-thiophen-3-ylethanone (PubChem CID 60799392) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-thiophen-3-ylethanone
PubChem CID60799392
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name2-(2-fluorophenyl)-1-thiophen-3-ylethanone
SMILESO=C(Cc1ccccc1F)c1ccsc1
InChIInChI=1S/C12H9FOS/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2
InChIKeyXYPPVEXAGOISNJ-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099356
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188
2-(2-fluorophenyl)-1-(4-propylphenyl)ethanone
CID 43338005
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
1-(4-butylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337843
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-thiophen-3-ylethanone (CID 60799392) is 2-(2-fluorophenyl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-thiophen-3-ylethanone is O=C(Cc1ccccc1F)c1ccsc1.
What is the InChIKey of 2-(2-fluorophenyl)-1-thiophen-3-ylethanone?
The InChIKey is XYPPVEXAGOISNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-6,8H,7H2.
What are the key properties of 2-(2-fluorophenyl)-1-thiophen-3-ylethanone?
2-(2-fluorophenyl)-1-thiophen-3-ylethanone has a molecular weight of 220.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-thiophen-3-ylethanone is sourced from PubChem (CID 60799392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).