N-dec-9-enyl-2,2,2-trifluoroacetamide

C12H20F3NO — CID 11402486

IUPACN-dec-9-enyl-2,2,2-trifluoroacetamide
SMILESC=CCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2H,1,3-10H2,(H,16,17)
InChIKeyXYRSNIPQOBJXDR-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.58
Rot. Bonds9

About N-dec-9-enyl-2,2,2-trifluoroacetamide

N-dec-9-enyl-2,2,2-trifluoroacetamide (PubChem CID 11402486) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-dec-9-enyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-dec-9-enyl-2,2,2-trifluoroacetamide
PubChem CID11402486
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-dec-9-enyl-2,2,2-trifluoroacetamide
SMILESC=CCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2H,1,3-10H2,(H,16,17)
InChIKeyXYRSNIPQOBJXDR-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dec-9-enyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-dec-9-enyl-2,2,2-trifluoroacetamide (CID 11402486) is N-dec-9-enyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-dec-9-enyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-dec-9-enyl-2,2,2-trifluoroacetamide is C=CCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-dec-9-enyl-2,2,2-trifluoroacetamide?
The InChIKey is XYRSNIPQOBJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2H,1,3-10H2,(H,16,17).
What are the key properties of N-dec-9-enyl-2,2,2-trifluoroacetamide?
N-dec-9-enyl-2,2,2-trifluoroacetamide has a molecular weight of 251.29 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-9-enyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11402486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).