2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

C6H10F3NO2S — CID 43392461

IUPAC2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSCCO)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-10-5(12)3-13-2-1-11/h11H,1-4H2,(H,10,12)
InChIKeyTWHJJFMHODNHIJ-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.39
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43392461) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43392461
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSCCO)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)4-10-5(12)3-13-2-1-11/h11H,1-4H2,(H,10,12)
InChIKeyTWHJJFMHODNHIJ-UHFFFAOYSA-N
XLogP0.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 43392461) is 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSCCO)NCC(F)(F)F.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TWHJJFMHODNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)4-10-5(12)3-13-2-1-11/h11H,1-4H2,(H,10,12).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 217.21 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43392461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).