2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone

C13H8Cl2F3NOS — CID 1474328

IUPAC2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone
SMILESO=C(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C13H8Cl2F3NOS/c14-5-11(20)12-2-1-8(21-12)4-10-9(15)3-7(6-19-10)13(16,17)18/h1-3,6H,4-5H2
InChIKeyFABBPALZPRVRSG-UHFFFAOYSA-N
MW354.18 g/mol
LogP4.83
Rot. Bonds4

About 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone

2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone (PubChem CID 1474328) has the molecular formula C13H8Cl2F3NOS and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone
PubChem CID1474328
Molecular FormulaC13H8Cl2F3NOS
Molecular Weight354.18 g/mol
Exact Mass352.97
IUPAC Name2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone
SMILESO=C(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C13H8Cl2F3NOS/c14-5-11(20)12-2-1-8(21-12)4-10-9(15)3-7(6-19-10)13(16,17)18/h1-3,6H,4-5H2
InChIKeyFABBPALZPRVRSG-UHFFFAOYSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-1-[5-(2-pyridinyl)-2-thienyl]ethanone
CID 44541233
1-(5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1487180
5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thiophenecarboxamide
CID 1487186
2-(5-Chloro-3-pyridinyl)-1-thiophen-2-ylethanone
CID 44445980
(2-Chlorophenyl)-[3-(2-chloro-4-pyridinyl)thiophen-2-yl]methanone
CID 145992591
2-Chloro-5-(2-thenoyl)pyridine
CID 335095
2-((2-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-oxoethyl)sulfanyl)-1-pyridiniumolate
CID 1484318
(E)-3-(6-chloro-3-pyridinyl)-1-thiophen-2-ylprop-2-en-1-one
CID 156010024
1-(2-Pyridin-2-ylthiophen-3-yl)propan-1-one
CID 10798828
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-thienyl)acetamide
CID 3702182
1-(4-Chlorophenyl)-3-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}sulfanyl)-2-propen-1-one
CID 16413380
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide
CID 19068777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone (CID 1474328) is 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone is O=C(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone?
The InChIKey is FABBPALZPRVRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NOS/c14-5-11(20)12-2-1-8(21-12)4-10-9(15)3-7(6-19-10)13(16,17)18/h1-3,6H,4-5H2.
What are the key properties of 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone?
2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone has a molecular weight of 354.18 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 1474328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).