2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide

C13H19F6NO2 — CID 58152534

IUPAC2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide
SMILESO=C(CCCCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO2/c14-12(15,16)10(21)8-6-4-2-1-3-5-7-9-20-11(22)13(17,18)19/h1-9H2,(H,20,22)
InChIKeyBDJYZLACPQIIMU-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.92
Rot. Bonds10

About 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide

2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide (PubChem CID 58152534) has the molecular formula C13H19F6NO2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide
PubChem CID58152534
Molecular FormulaC13H19F6NO2
Molecular Weight335.29 g/mol
Exact Mass335.13
IUPAC Name2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide
SMILESO=C(CCCCCCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO2/c14-12(15,16)10(21)8-6-4-2-1-3-5-7-9-20-11(22)13(17,18)19/h1-9H2,(H,20,22)
InChIKeyBDJYZLACPQIIMU-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(11,11,11-trifluoro-10-oxoundecyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide (CID 58152534) is 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide is O=C(CCCCCCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide?
The InChIKey is BDJYZLACPQIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO2/c14-12(15,16)10(21)8-6-4-2-1-3-5-7-9-20-11(22)13(17,18)19/h1-9H2,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide?
2,2,2-trifluoro-N-(11,11,11-trifluoro-10-oxoundecyl)acetamide has a molecular weight of 335.29 g/mol, XLogP of 3.92, 10 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-(11,11,11-trifluoro-10-oxoundecyl)acetamide is sourced from PubChem (CID 58152534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).