2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide

C8H8F3NOS — CID 78990955

IUPAC2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-5-2-3-14-6(5)4-12-7(13)8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyXTLWQLBMPCAFMG-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.24
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide

2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 78990955) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID78990955
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-5-2-3-14-6(5)4-12-7(13)8(9,10)11/h2-3H,4H2,1H3,(H,12,13)
InChIKeyXTLWQLBMPCAFMG-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.24
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-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 78990955) is 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is XTLWQLBMPCAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-5-2-3-14-6(5)4-12-7(13)8(9,10)11/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 223.22 g/mol, XLogP of 2.24, 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-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78990955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).