2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide

C12H20F3NO2 — CID 91376300

IUPAC2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide
SMILESCCC(C)C(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-3-9(2)10(17)7-5-4-6-8-16-11(18)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,18)
InChIKeyLNSJRWACJYYWMH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.84
Rot. Bonds8

About 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide

2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide (PubChem CID 91376300) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide
PubChem CID91376300
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide
SMILESCCC(C)C(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-3-9(2)10(17)7-5-4-6-8-16-11(18)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,18)
InChIKeyLNSJRWACJYYWMH-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.84
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-(7-methyl-6-oxononyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide (CID 91376300) is 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide is CCC(C)C(=O)CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide?
The InChIKey is LNSJRWACJYYWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-9(2)10(17)7-5-4-6-8-16-11(18)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide?
2,2,2-trifluoro-N-(7-methyl-6-oxononyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.84, 8 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-(7-methyl-6-oxononyl)acetamide is sourced from PubChem (CID 91376300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).