2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide

C13H7F6NOS — CID 5057162

IUPAC2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C13H7F6NOS/c14-12(15,16)8-4-2-1-3-7(8)9-5-6-10(22-9)20-11(21)13(17,18)19/h1-6H,(H,20,21)
InChIKeyKEBMYHDSNUZBBB-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.93
Rot. Bonds2

About 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide

2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide (PubChem CID 5057162) has the molecular formula C13H7F6NOS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide
PubChem CID5057162
Molecular FormulaC13H7F6NOS
Molecular Weight339.26 g/mol
Exact Mass339.02
IUPAC Name2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C13H7F6NOS/c14-12(15,16)8-4-2-1-3-7(8)9-5-6-10(22-9)20-11(21)13(17,18)19/h1-6H,(H,20,21)
InChIKeyKEBMYHDSNUZBBB-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide (CID 5057162) is 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide is O=C(Nc1ccc(-c2ccccc2C(F)(F)F)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide?
The InChIKey is KEBMYHDSNUZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NOS/c14-12(15,16)8-4-2-1-3-7(8)9-5-6-10(22-9)20-11(21)13(17,18)19/h1-6H,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide?
2,2,2-trifluoro-N-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide has a molecular weight of 339.26 g/mol, XLogP of 4.93, 2 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-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 5057162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).