2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide

C11H20F3NO3 — CID 59646293

IUPAC2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide
SMILESO=C(NCCCCCCC(CO)CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c12-11(13,14)10(18)15-6-4-2-1-3-5-9(7-16)8-17/h9,16-17H,1-8H2,(H,15,18)
InChIKeyQILXXTJFOJFUKX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.22
Rot. Bonds9

About 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide

2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide (PubChem CID 59646293) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide
PubChem CID59646293
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide
SMILESO=C(NCCCCCCC(CO)CO)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c12-11(13,14)10(18)15-6-4-2-1-3-5-9(7-16)8-17/h9,16-17H,1-8H2,(H,15,18)
InChIKeyQILXXTJFOJFUKX-UHFFFAOYSA-N
XLogP1.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
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 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide (CID 59646293) is 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide is O=C(NCCCCCCC(CO)CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide?
The InChIKey is QILXXTJFOJFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c12-11(13,14)10(18)15-6-4-2-1-3-5-9(7-16)8-17/h9,16-17H,1-8H2,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide?
2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide is sourced from PubChem (CID 59646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).