(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone

C11H6ClFOS — CID 24723405

IUPAC(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6H
InChIKeyYQGJVUFJHVNAPR-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.77
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone

(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone (PubChem CID 24723405) has the molecular formula C11H6ClFOS and a molecular weight of 240.69 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
PubChem CID24723405
Molecular FormulaC11H6ClFOS
Molecular Weight240.69 g/mol
Exact Mass239.98
IUPAC Name(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6H
InChIKeyYQGJVUFJHVNAPR-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone (CID 24723405) is (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone?
The InChIKey is YQGJVUFJHVNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6H.
What are the key properties of (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone?
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone has a molecular weight of 240.69 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 24723405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).