(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone

C12H7F3O2S — CID 81118434

IUPAC(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H7F3O2S/c1-17-8-4-5-18-12(8)11(16)6-2-3-7(13)10(15)9(6)14/h2-5H,1H3
InChIKeyNHYQNNWHBYEYGI-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.40
Rot. Bonds3

About (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone

(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 81118434) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID81118434
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H7F3O2S/c1-17-8-4-5-18-12(8)11(16)6-2-3-7(13)10(15)9(6)14/h2-5H,1H3
InChIKeyNHYQNNWHBYEYGI-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone 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 (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone (CID 81118434) is (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone is COc1ccsc1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is NHYQNNWHBYEYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c1-17-8-4-5-18-12(8)11(16)6-2-3-7(13)10(15)9(6)14/h2-5H,1H3.
What are the key properties of (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone?
(3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 272.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 81118434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).