2-methyl-2-(2,2,2-trifluoroethylamino)octanamide

C11H21F3N2O — CID 54892635

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)octanamide
SMILESCCCCCCC(C)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C11H21F3N2O/c1-3-4-5-6-7-10(2,9(15)17)16-8-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyGNGIJQJRLPEYOL-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.35
Rot. Bonds8

About 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide

2-methyl-2-(2,2,2-trifluoroethylamino)octanamide (PubChem CID 54892635) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)octanamide
PubChem CID54892635
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)octanamide
SMILESCCCCCCC(C)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C11H21F3N2O/c1-3-4-5-6-7-10(2,9(15)17)16-8-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17)
InChIKeyGNGIJQJRLPEYOL-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-methyl-2-(2,2,2-trifluoroethylamino)octanamide?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide (CID 54892635) is 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide is CCCCCCC(C)(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide?
The InChIKey is GNGIJQJRLPEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-4-5-6-7-10(2,9(15)17)16-8-11(12,13)14/h16H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide?
2-methyl-2-(2,2,2-trifluoroethylamino)octanamide has a molecular weight of 254.30 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylamino)octanamide is sourced from PubChem (CID 54892635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).