2,2,2-trifluoro-N-(thiolan-2-yl)acetamide

C6H8F3NOS — CID 88837563

IUPAC2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
SMILESO=C(NC1CCCS1)C(F)(F)F
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-4-2-1-3-12-4/h4H,1-3H2,(H,10,11)
InChIKeyGMCOWUGRNAHXGK-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.52
Rot. Bonds1

About 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide

2,2,2-trifluoro-N-(thiolan-2-yl)acetamide (PubChem CID 88837563) has the molecular formula C6H8F3NOS and a molecular weight of 199.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
PubChem CID88837563
Molecular FormulaC6H8F3NOS
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Name2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
SMILESO=C(NC1CCCS1)C(F)(F)F
InChIInChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-4-2-1-3-12-4/h4H,1-3H2,(H,10,11)
InChIKeyGMCOWUGRNAHXGK-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiolan-2-yl)acetamide
CID 44558384
4,4,4-trifluoro-N-(thiolan-2-ylmethyl)butanamide
CID 84586643
5-(2,2,2-Trifluoroethyl)thiazolidine-2-one
CID 102530675
2-Trifluoromethylthiazolidin-4-one
CID 129747045
2,2,2-trifluoro-N-[2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]ethyl]acetamide
CID 53856300
2,2,2-trifluoro-N-[[(2S,5S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880429
2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880433
2,2,2-trifluoro-N-[[(4R)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 59316828
2,2,2-trifluoro-N-thiazolidin-4-ylmethyl-acetamide
CID 72254565
2,2,2-trifluoro-N-[[(4S)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 89060539
3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 89308146
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 89344115

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide (CID 88837563) is 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide is O=C(NC1CCCS1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide?
The InChIKey is GMCOWUGRNAHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NOS/c7-6(8,9)5(11)10-4-2-1-3-12-4/h4H,1-3H2,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(thiolan-2-yl)acetamide?
2,2,2-trifluoro-N-(thiolan-2-yl)acetamide has a molecular weight of 199.20 g/mol, XLogP of 1.52, 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-(thiolan-2-yl)acetamide is sourced from PubChem (CID 88837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).