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

C5H8F3NO — CID 59961165

IUPACN-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-4(10)9(2)3-5(6,7)8/h3H2,1-2H3
InChIKeyHAGMOXAUOMDQFR-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.03
Rot. Bonds1

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

N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 59961165) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID59961165
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-4(10)9(2)3-5(6,7)8/h3H2,1-2H3
InChIKeyHAGMOXAUOMDQFR-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)acetamide
CID 15852922
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213
2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
CID 174100546
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
3-amino-1-methyl-1-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 90317680
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylacetamide
CID 20651628
N-methyl-N-(2,2,4,4-tetramethylpentyl)acetamide
CID 170423404
N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
CID 15555425
2,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76992428

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 59961165) is N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HAGMOXAUOMDQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-4(10)9(2)3-5(6,7)8/h3H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 155.12 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 59961165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).