2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide

C12H23F3N2O — CID 54892589

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide
SMILESCCCCCCCC(C)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C12H23F3N2O/c1-3-4-5-6-7-8-11(2,10(16)18)17-9-12(13,14)15/h17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyWHOPHOZJRPFAFF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds9

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

2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide (PubChem CID 54892589) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide
PubChem CID54892589
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide
SMILESCCCCCCCC(C)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C12H23F3N2O/c1-3-4-5-6-7-8-11(2,10(16)18)17-9-12(13,14)15/h17H,3-9H2,1-2H3,(H2,16,18)
InChIKeyWHOPHOZJRPFAFF-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
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)nonanamide?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide (CID 54892589) is 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide is CCCCCCCC(C)(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide?
The InChIKey is WHOPHOZJRPFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-4-5-6-7-8-11(2,10(16)18)17-9-12(13,14)15/h17H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide?
2-methyl-2-(2,2,2-trifluoroethylamino)nonanamide has a molecular weight of 268.32 g/mol, XLogP of 2.74, 9 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)nonanamide is sourced from PubChem (CID 54892589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).