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

C9H14F3NO2 — CID 20702216

IUPAC2,2,2-trifluoro-N-(6-oxoheptyl)acetamide
SMILESCC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(14)5-3-2-4-6-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyBVIGCYNXRMAWHC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.81
Rot. Bonds6

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

2,2,2-trifluoro-N-(6-oxoheptyl)acetamide (PubChem CID 20702216) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-oxoheptyl)acetamide
PubChem CID20702216
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(6-oxoheptyl)acetamide
SMILESCC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(14)5-3-2-4-6-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyBVIGCYNXRMAWHC-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide (CID 20702216) is 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide is CC(=O)CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide?
The InChIKey is BVIGCYNXRMAWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(14)5-3-2-4-6-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(6-oxoheptyl)acetamide?
2,2,2-trifluoro-N-(6-oxoheptyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.81, 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-oxoheptyl)acetamide is sourced from PubChem (CID 20702216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).