N-(1,1,2-trifluoroethyl)acetamide

C4H6F3NO — CID 173144914

IUPACN-(1,1,2-trifluoroethyl)acetamide
SMILESCC(=O)NC(F)(F)CF
InChIInChI=1S/C4H6F3NO/c1-3(9)8-4(6,7)2-5/h2H2,1H3,(H,8,9)
InChIKeyIEMZKBAQZWNESC-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.68
Rot. Bonds2

About N-(1,1,2-trifluoroethyl)acetamide

N-(1,1,2-trifluoroethyl)acetamide (PubChem CID 173144914) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N-(1,1,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1,1,2-trifluoroethyl)acetamide
PubChem CID173144914
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN-(1,1,2-trifluoroethyl)acetamide
SMILESCC(=O)NC(F)(F)CF
InChIInChI=1S/C4H6F3NO/c1-3(9)8-4(6,7)2-5/h2H2,1H3,(H,8,9)
InChIKeyIEMZKBAQZWNESC-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1,1,2-trifluoroethyl)acetamide (CID 173144914) is N-(1,1,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1,1,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1,1,2-trifluoroethyl)acetamide is CC(=O)NC(F)(F)CF.
What is the InChIKey of N-(1,1,2-trifluoroethyl)acetamide?
The InChIKey is IEMZKBAQZWNESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-3(9)8-4(6,7)2-5/h2H2,1H3,(H,8,9).
What are the key properties of N-(1,1,2-trifluoroethyl)acetamide?
N-(1,1,2-trifluoroethyl)acetamide has a molecular weight of 141.09 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2-trifluoroethyl)acetamide is sourced from PubChem (CID 173144914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).