2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide

C10H18F3NO2 — CID 86289671

IUPAC2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
SMILESO=C(NCCCCCCCCO)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)14-7-5-3-1-2-4-6-8-15/h15H,1-8H2,(H,14,16)
InChIKeyIUWKQWBSBPVDBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.00
Rot. Bonds8

About 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide

2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide (PubChem CID 86289671) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
PubChem CID86289671
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
SMILESO=C(NCCCCCCCCO)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)14-7-5-3-1-2-4-6-8-15/h15H,1-8H2,(H,14,16)
InChIKeyIUWKQWBSBPVDBT-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide (CID 86289671) is 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide is O=C(NCCCCCCCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide?
The InChIKey is IUWKQWBSBPVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)9(16)14-7-5-3-1-2-4-6-8-15/h15H,1-8H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide?
2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide is sourced from PubChem (CID 86289671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).