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

C5H8F3NO2 — CID 81339817

IUPACN-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-4(10)9-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyHILLAXHAMIEQGI-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.01
Rot. Bonds3

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

N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81339817) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81339817
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-4(10)9-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyHILLAXHAMIEQGI-UHFFFAOYSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)propanamide (CID 81339817) is N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)propanamide is CCC(=O)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HILLAXHAMIEQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2-4(10)9-11-3-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-(2,2,2-trifluoroethoxy)propanamide?
N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 171.12 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).