2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide

C11H17F4NO — CID 146018296

IUPAC2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
SMILESC=C(CCC(F)(F)F)C(CCC)NC(=O)CF
InChIInChI=1S/C11H17F4NO/c1-3-4-9(16-10(17)7-12)8(2)5-6-11(13,14)15/h9H,2-7H2,1H3,(H,16,17)
InChIKeyKORUBSBCCXIWSS-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds7

About 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide

2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide (PubChem CID 146018296) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
PubChem CID146018296
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
SMILESC=C(CCC(F)(F)F)C(CCC)NC(=O)CF
InChIInChI=1S/C11H17F4NO/c1-3-4-9(16-10(17)7-12)8(2)5-6-11(13,14)15/h9H,2-7H2,1H3,(H,16,17)
InChIKeyKORUBSBCCXIWSS-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)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-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The IUPAC name of 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide (CID 146018296) is 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide.
What is the SMILES notation for 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The canonical SMILES for 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide is C=C(CCC(F)(F)F)C(CCC)NC(=O)CF.
What is the InChIKey of 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The InChIKey is KORUBSBCCXIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-3-4-9(16-10(17)7-12)8(2)5-6-11(13,14)15/h9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide has a molecular weight of 255.25 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide is sourced from PubChem (CID 146018296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).