2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide

C5H5F4NO2 — CID 118071446

IUPAC2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide
SMILESCN(C(=O)CF)C(=O)C(F)(F)F
InChIInChI=1S/C5H5F4NO2/c1-10(3(11)2-6)4(12)5(7,8)9/h2H2,1H3
InChIKeyUFKUUJJNPVHMJB-UHFFFAOYSA-N
MW187.09 g/mol
LogP0.50
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide

2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide (PubChem CID 118071446) has the molecular formula C5H5F4NO2 and a molecular weight of 187.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide
PubChem CID118071446
Molecular FormulaC5H5F4NO2
Molecular Weight187.09 g/mol
Exact Mass187.03
IUPAC Name2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide
SMILESCN(C(=O)CF)C(=O)C(F)(F)F
InChIInChI=1S/C5H5F4NO2/c1-10(3(11)2-6)4(12)5(7,8)9/h2H2,1H3
InChIKeyUFKUUJJNPVHMJB-UHFFFAOYSA-N
XLogP0.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylbis(trifluoroacetyl)imide
CID 69635
N-acetyl-N-methylcarbamoyl fluoride
CID 135060543
2-Aminopropane, N,N-bis(trifluoroacetyl)-
CID 91716929
N-acetyl-N-(2,2-difluoroethyl)acetamide
CID 176437815
2,2,2-Trifluoro-N-methyl-N-(pentafluoroethyl)acetamide
CID 91695242
N,N-bis(2,2,2-trifluoroethyl)acetamide
CID 54084492
CID 57875851
CID 57875851
N-acetyl-2,2-difluoro-N-methylacetamide
CID 58658233
N-acetyl-2,2,2-trifluoro-N-methylacetamide
CID 58658247
2-fluoro-N-(2-fluoroacetyl)-N-methylacetamide
CID 59927286
N-(difluoromethyl)-N-propanoylpropanamide
CID 154198655
N-ethyl-2-fluoro-N-(2-fluoroacetyl)acetamide
CID 156678165

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide (CID 118071446) is 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide is CN(C(=O)CF)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide?
The InChIKey is UFKUUJJNPVHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO2/c1-10(3(11)2-6)4(12)5(7,8)9/h2H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide?
2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide has a molecular weight of 187.09 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-fluoroacetyl)-N-methylacetamide is sourced from PubChem (CID 118071446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).