1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one

C13H10ClFOS — CID 43438621

IUPAC1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H10ClFOS/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7H,2H2,1H3
InChIKeyFTMHHKKBPRELIX-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.80
Rot. Bonds3

About 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one

1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one (PubChem CID 43438621) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
PubChem CID43438621
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H10ClFOS/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7H,2H2,1H3
InChIKeyFTMHHKKBPRELIX-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one (CID 43438621) is 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one is CCC(=O)c1ccc(-c2cc(Cl)ccc2F)s1.
What is the InChIKey of 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one?
The InChIKey is FTMHHKKBPRELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-2-11(16)13-6-5-12(17-13)9-7-8(14)3-4-10(9)15/h3-7H,2H2,1H3.
What are the key properties of 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one?
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 43438621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).