2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone

C11H7ClFNOS — CID 102857277

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cscn1
InChIInChI=1S/C11H7ClFNOS/c12-8-3-1-2-7(11(8)13)4-10(15)9-5-16-6-14-9/h1-3,5-6H,4H2
InChIKeyLVMYZLDGCSMYQJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone (PubChem CID 102857277) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone
PubChem CID102857277
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cscn1
InChIInChI=1S/C11H7ClFNOS/c12-8-3-1-2-7(11(8)13)4-10(15)9-5-16-6-14-9/h1-3,5-6H,4H2
InChIKeyLVMYZLDGCSMYQJ-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone (CID 102857277) is 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone is O=C(Cc1cccc(Cl)c1F)c1cscn1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone?
The InChIKey is LVMYZLDGCSMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c12-8-3-1-2-7(11(8)13)4-10(15)9-5-16-6-14-9/h1-3,5-6H,4H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone has a molecular weight of 255.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 102857277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).