1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone

C12H8ClFOS — CID 107360532

IUPAC1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2sccc2Cl)c1
InChIInChI=1S/C12H8ClFOS/c1-7(15)8-2-3-11(14)9(6-8)12-10(13)4-5-16-12/h2-6H,1H3
InChIKeyJMVCOGDTYAYGMW-UHFFFAOYSA-N
MW254.71 g/mol
LogP4.41
Rot. Bonds2

About 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone

1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone (PubChem CID 107360532) has the molecular formula C12H8ClFOS and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
PubChem CID107360532
Molecular FormulaC12H8ClFOS
Molecular Weight254.71 g/mol
Exact Mass254.00
IUPAC Name1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2sccc2Cl)c1
InChIInChI=1S/C12H8ClFOS/c1-7(15)8-2-3-11(14)9(6-8)12-10(13)4-5-16-12/h2-6H,1H3
InChIKeyJMVCOGDTYAYGMW-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646
1-[4-(3-chlorothiophen-2-yl)phenyl]ethanone
CID 107360534
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
1-[4-fluoro-3-(methylamino)phenyl]ethanone
CID 67800838
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
CID 122358564
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
CID 118330416
1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
CID 21406743
1-[4-(4-bromo-2-chlorophenyl)-3-fluorophenyl]ethanone
CID 21406759

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone (CID 107360532) is 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(-c2sccc2Cl)c1.
What is the InChIKey of 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone?
The InChIKey is JMVCOGDTYAYGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFOS/c1-7(15)8-2-3-11(14)9(6-8)12-10(13)4-5-16-12/h2-6H,1H3.
What are the key properties of 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone?
1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone has a molecular weight of 254.71 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 107360532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).