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

C10H18F3NO — CID 529469

IUPAC2,2,2-trifluoro-N-octan-2-ylacetamide
SMILESCCCCCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-5-6-7-8(2)14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyPCWNWQNPOLREHV-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.02
Rot. Bonds6

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

2,2,2-trifluoro-N-octan-2-ylacetamide (PubChem CID 529469) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-octan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-octan-2-ylacetamide
PubChem CID529469
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-octan-2-ylacetamide
SMILESCCCCCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-5-6-7-8(2)14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyPCWNWQNPOLREHV-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-octan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-octan-2-ylacetamide (CID 529469) is 2,2,2-trifluoro-N-octan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-octan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-octan-2-ylacetamide is CCCCCCC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-octan-2-ylacetamide?
The InChIKey is PCWNWQNPOLREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-4-5-6-7-8(2)14-9(15)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-octan-2-ylacetamide?
2,2,2-trifluoro-N-octan-2-ylacetamide has a molecular weight of 225.25 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-octan-2-ylacetamide is sourced from PubChem (CID 529469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).