2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide

C11H20F3NO — CID 592910

IUPAC2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide
SMILESCCCCCCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-5-6-7-8-9(2)15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMQMNMQCPAVELBX-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.37
Rot. Bonds6

About 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide

2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide (PubChem CID 592910) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide
PubChem CID592910
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide
SMILESCCCCCCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-5-6-7-8-9(2)15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMQMNMQCPAVELBX-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-octan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide (CID 592910) is 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide is CCCCCCC(C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide?
The InChIKey is MQMNMQCPAVELBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-5-6-7-8-9(2)15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide?
2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide has a molecular weight of 239.28 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-octan-2-ylacetamide is sourced from PubChem (CID 592910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).