2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C8H14F3NO3S — CID 103726230

IUPAC2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCSCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-15-2-3-16-5-7(14)12-4-6(13)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyHTSDDHRCRXDHMY-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.41
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726230) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726230
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCSCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-15-2-3-16-5-7(14)12-4-6(13)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyHTSDDHRCRXDHMY-UHFFFAOYSA-N
XLogP0.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
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 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726230) is 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is COCCSCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is HTSDDHRCRXDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-15-2-3-16-5-7(14)12-4-6(13)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 261.26 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).