N-(trifluoromethoxy)acetamide

C3H4F3NO2 — CID 145063070

IUPACN-(trifluoromethoxy)acetamide
SMILESCC(=O)NOC(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-2(8)7-9-3(4,5)6/h1H3,(H,7,8)
InChIKeyCXBVIZDEWMPLLP-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.57
Rot. Bonds1

About N-(trifluoromethoxy)acetamide

N-(trifluoromethoxy)acetamide (PubChem CID 145063070) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is N-(trifluoromethoxy)acetamide.

Molecular Properties

Compound NameN-(trifluoromethoxy)acetamide
PubChem CID145063070
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC NameN-(trifluoromethoxy)acetamide
SMILESCC(=O)NOC(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-2(8)7-9-3(4,5)6/h1H3,(H,7,8)
InChIKeyCXBVIZDEWMPLLP-UHFFFAOYSA-N
XLogP0.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.57
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-(trifluoromethoxy)acetamide?
The IUPAC name of N-(trifluoromethoxy)acetamide (CID 145063070) is N-(trifluoromethoxy)acetamide.
What is the SMILES notation for N-(trifluoromethoxy)acetamide?
The canonical SMILES for N-(trifluoromethoxy)acetamide is CC(=O)NOC(F)(F)F.
What is the InChIKey of N-(trifluoromethoxy)acetamide?
The InChIKey is CXBVIZDEWMPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c1-2(8)7-9-3(4,5)6/h1H3,(H,7,8).
What are the key properties of N-(trifluoromethoxy)acetamide?
N-(trifluoromethoxy)acetamide has a molecular weight of 143.06 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethoxy)acetamide is sourced from PubChem (CID 145063070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).