N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide

C9H10F3NOS — CID 134967095

IUPACN-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6(14)13-8(9(10,11)12)5-7-3-2-4-15-7/h2-4,8H,5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyAJZSJTXIENNSDI-QMMMGPOBSA-N
MW237.25 g/mol
LogP2.36
Rot. Bonds3

About N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide

N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 134967095) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID134967095
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC NameN-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-6(14)13-8(9(10,11)12)5-7-3-2-4-15-7/h2-4,8H,5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyAJZSJTXIENNSDI-QMMMGPOBSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide (CID 134967095) is N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cccs1)C(F)(F)F.
What is the InChIKey of N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is AJZSJTXIENNSDI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-6(14)13-8(9(10,11)12)5-7-3-2-4-15-7/h2-4,8H,5H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide?
N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 237.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 134967095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).