3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide

C7H11F3N2O2 — CID 104583861

IUPAC3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-6(2,3-4(11)13)12-5(14)7(8,9)10/h3H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyRSBWOAHLDYCYOI-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.32
Rot. Bonds3

About 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide

3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 104583861) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID104583861
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-6(2,3-4(11)13)12-5(14)7(8,9)10/h3H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyRSBWOAHLDYCYOI-UHFFFAOYSA-N
XLogP0.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4,4,4-trifluorobutanamide
CID 14324576
N-(1,1,1-trifluoro-2-methylpropan-2-yl)butanamide
CID 57872138
N-tert-butyl-3,3-difluorobutanamide
CID 58207456
N'-tert-butyl-2,2-difluoropropanediamide
CID 139520564
N-(1,1-difluoro-2-methylpropan-2-yl)butanamide
CID 167213696
3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 64677657
3-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 64686138
Acetamide, N-(1,1-dimethyl-3-oxobutyl)-2,2,2-trifluoro-
CID 74788274
3-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 81489755
3-Amino-4,4,4-trifluoro-3-methylbutanamide
CID 83682793
4,4,4-Trifluoro-3-methyl-3-(methylamino)butanamide
CID 84074748
3-Methyl-3-(2,2,3,3-tetrafluoropropanoylamino)butanamide
CID 104579564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 104583861) is 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide is CC(C)(CC(N)=O)NC(=O)C(F)(F)F.
What is the InChIKey of 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is RSBWOAHLDYCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-6(2,3-4(11)13)12-5(14)7(8,9)10/h3H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 212.17 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 104583861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).