2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide

C10H18F3NO3S — CID 126832070

IUPAC2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide
SMILESCCCCCOCC(=O)NCCS(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-2-3-4-6-17-8-9(15)14-5-7-18(16)10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyUECKZUIUAMQTBE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.58
Rot. Bonds9

About 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide

2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide (PubChem CID 126832070) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide
PubChem CID126832070
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide
SMILESCCCCCOCC(=O)NCCS(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-2-3-4-6-17-8-9(15)14-5-7-18(16)10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyUECKZUIUAMQTBE-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide?
The IUPAC name of 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide (CID 126832070) is 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide.
What is the SMILES notation for 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide?
The canonical SMILES for 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide is CCCCCOCC(=O)NCCS(=O)C(F)(F)F.
What is the InChIKey of 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide?
The InChIKey is UECKZUIUAMQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-2-3-4-6-17-8-9(15)14-5-7-18(16)10(11,12)13/h2-8H2,1H3,(H,14,15).
What are the key properties of 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide?
2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide is sourced from PubChem (CID 126832070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).