N-[4-(trifluoromethyl)phenoxy]propanamide

C10H10F3NO2 — CID 87201032

IUPACN-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCCC(=O)NOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-9(15)14-16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyWAUZSDYNTGNKSL-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.53
Rot. Bonds3

About N-[4-(trifluoromethyl)phenoxy]propanamide

N-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 87201032) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID87201032
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC NameN-[4-(trifluoromethyl)phenoxy]propanamide
SMILESCCC(=O)NOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c1-2-9(15)14-16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyWAUZSDYNTGNKSL-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.53
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-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-[4-(trifluoromethyl)phenoxy]propanamide (CID 87201032) is N-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenoxy]propanamide is CCC(=O)NOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is WAUZSDYNTGNKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-9(15)14-16-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of N-[4-(trifluoromethyl)phenoxy]propanamide?
N-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 233.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 87201032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).