2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

C7H6F3NOS — CID 3327556

IUPAC2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyOURABVDFOPRXPQ-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.93
Rot. Bonds2

About 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3327556) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3327556
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyOURABVDFOPRXPQ-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.93
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-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (CID 3327556) is 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is O=C(NCc1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OURABVDFOPRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)6(12)11-4-5-2-1-3-13-5/h1-3H,4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 209.19 g/mol, XLogP of 1.93, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3327556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).