N-ethyl-2,2,2-trifluoroacetamide

C4H6F3NO — CID 581108

IUPACN-ethyl-2,2,2-trifluoroacetamide
SMILESCCNC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeySVEZGQGDAZLHQG-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.68
Rot. Bonds1

About N-ethyl-2,2,2-trifluoroacetamide

N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 581108) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoroacetamide
PubChem CID581108
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN-ethyl-2,2,2-trifluoroacetamide
SMILESCCNC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeySVEZGQGDAZLHQG-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

4-(ethylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 142578777
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-but-2-ynyl-2,2,2-trifluoroacetamide
CID 115867465
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
N,2-diethyl-2-silylbutanamide
CID 175828478

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoroacetamide (CID 581108) is N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoroacetamide is CCNC(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is SVEZGQGDAZLHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2-8-3(9)4(5,6)7/h2H2,1H3,(H,8,9).
What are the key properties of N-ethyl-2,2,2-trifluoroacetamide?
N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 141.09 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 581108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).