2,2,2-trifluoro-N-(6-oxohexyl)acetamide

C8H12F3NO2 — CID 19763643

IUPAC2,2,2-trifluoro-N-(6-oxohexyl)acetamide
SMILESO=CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h6H,1-5H2,(H,12,14)
InChIKeyDWJLGBRTRRHYQC-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.42
Rot. Bonds6

About 2,2,2-trifluoro-N-(6-oxohexyl)acetamide

2,2,2-trifluoro-N-(6-oxohexyl)acetamide (PubChem CID 19763643) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-oxohexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-oxohexyl)acetamide
PubChem CID19763643
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(6-oxohexyl)acetamide
SMILESO=CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h6H,1-5H2,(H,12,14)
InChIKeyDWJLGBRTRRHYQC-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(6-oxohexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-oxohexyl)acetamide (CID 19763643) is 2,2,2-trifluoro-N-(6-oxohexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-oxohexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-oxohexyl)acetamide is O=CCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-oxohexyl)acetamide?
The InChIKey is DWJLGBRTRRHYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h6H,1-5H2,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(6-oxohexyl)acetamide?
2,2,2-trifluoro-N-(6-oxohexyl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-oxohexyl)acetamide is sourced from PubChem (CID 19763643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).