N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO3S — CID 103915513

IUPACN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCSCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-16-4-5-17-6-8(15)13(2-3-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyVVEPOFRAJJUAGA-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.75
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915513) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915513
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC NameN-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCSCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-16-4-5-17-6-8(15)13(2-3-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyVVEPOFRAJJUAGA-UHFFFAOYSA-N
XLogP0.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103915513) is N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is COCCSCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VVEPOFRAJJUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-16-4-5-17-6-8(15)13(2-3-14)7-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 275.29 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).