N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H16F3NO3 — CID 65109730

IUPACN-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,15)5-13-7(14)3-4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyYXLSAFINTKFTTC-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.84
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 65109730) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID65109730
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-8(2,15)5-13-7(14)3-4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14)
InChIKeyYXLSAFINTKFTTC-UHFFFAOYSA-N
XLogP0.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 65109730) is N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YXLSAFINTKFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-8(2,15)5-13-7(14)3-4-16-6-9(10,11)12/h15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 243.22 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 65109730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).