3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide

C5H5F6NO2 — CID 103310116

IUPAC3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide
SMILESCONC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2/c1-14-12-3(13)2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13)
InChIKeyWESOXAXTTOZYGW-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.40
Rot. Bonds2

About 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide (PubChem CID 103310116) has the molecular formula C5H5F6NO2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide
PubChem CID103310116
Molecular FormulaC5H5F6NO2
Molecular Weight225.09 g/mol
Exact Mass225.02
IUPAC Name3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide
SMILESCONC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2/c1-14-12-3(13)2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13)
InChIKeyWESOXAXTTOZYGW-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.40
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 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide (CID 103310116) is 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide is CONC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide?
The InChIKey is WESOXAXTTOZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO2/c1-14-12-3(13)2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide has a molecular weight of 225.09 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxy-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).