2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide

C10H5F3INOS — CID 15739778

IUPAC2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide
SMILESO=C(Nc1sc2ccccc2c1I)C(F)(F)F
InChIInChI=1S/C10H5F3INOS/c11-10(12,13)9(16)15-8-7(14)5-3-1-2-4-6(5)17-8/h1-4H,(H,15,16)
InChIKeyQMHFUMQQTHUBAT-UHFFFAOYSA-N
MW371.12 g/mol
LogP4.01
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide

2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide (PubChem CID 15739778) has the molecular formula C10H5F3INOS and a molecular weight of 371.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide
PubChem CID15739778
Molecular FormulaC10H5F3INOS
Molecular Weight371.12 g/mol
Exact Mass370.91
IUPAC Name2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide
SMILESO=C(Nc1sc2ccccc2c1I)C(F)(F)F
InChIInChI=1S/C10H5F3INOS/c11-10(12,13)9(16)15-8-7(14)5-3-1-2-4-6(5)17-8/h1-4H,(H,15,16)
InChIKeyQMHFUMQQTHUBAT-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide (CID 15739778) is 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide is O=C(Nc1sc2ccccc2c1I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide?
The InChIKey is QMHFUMQQTHUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3INOS/c11-10(12,13)9(16)15-8-7(14)5-3-1-2-4-6(5)17-8/h1-4H,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide?
2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide has a molecular weight of 371.12 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-iodo-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 15739778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).