N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide

C9H16F3NO3 — CID 115410172

IUPACN-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CONC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)5-16-13-8(14)3-4-15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyJNUKAZFOEJWBQB-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.66
Rot. Bonds7

About N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 115410172) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID115410172
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CONC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)5-16-13-8(14)3-4-15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyJNUKAZFOEJWBQB-UHFFFAOYSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
N-(2-methylpropoxy)butanamide
CID 87986570
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
N-(1-amino-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106356889
N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide (CID 115410172) is N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)CONC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JNUKAZFOEJWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2)5-16-13-8(14)3-4-15-6-9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 243.22 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 115410172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).