N-(2,4,5-trifluorophenoxy)propanamide

C9H8F3NO2 — CID 87201021

IUPACN-(2,4,5-trifluorophenoxy)propanamide
SMILESCCC(=O)NOc1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO2/c1-2-9(14)13-15-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyZSIMOMSQSVJLBH-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.92
Rot. Bonds3

About N-(2,4,5-trifluorophenoxy)propanamide

N-(2,4,5-trifluorophenoxy)propanamide (PubChem CID 87201021) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenoxy)propanamide
PubChem CID87201021
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC NameN-(2,4,5-trifluorophenoxy)propanamide
SMILESCCC(=O)NOc1cc(F)c(F)cc1F
InChIInChI=1S/C9H8F3NO2/c1-2-9(14)13-15-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyZSIMOMSQSVJLBH-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenoxy)propanamide?
The IUPAC name of N-(2,4,5-trifluorophenoxy)propanamide (CID 87201021) is N-(2,4,5-trifluorophenoxy)propanamide.
What is the SMILES notation for N-(2,4,5-trifluorophenoxy)propanamide?
The canonical SMILES for N-(2,4,5-trifluorophenoxy)propanamide is CCC(=O)NOc1cc(F)c(F)cc1F.
What is the InChIKey of N-(2,4,5-trifluorophenoxy)propanamide?
The InChIKey is ZSIMOMSQSVJLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-9(14)13-15-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of N-(2,4,5-trifluorophenoxy)propanamide?
N-(2,4,5-trifluorophenoxy)propanamide has a molecular weight of 219.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenoxy)propanamide is sourced from PubChem (CID 87201021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).