[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

C7H11F3N2O3 — CID 90216497

IUPAC[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(2,12-5(14)15)4(13)11-3-7(8,9)10/h12H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyLKKHSZQOZDZVSH-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.71
Rot. Bonds3

About [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (PubChem CID 90216497) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
PubChem CID90216497
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(2,12-5(14)15)4(13)11-3-7(8,9)10/h12H,3H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyLKKHSZQOZDZVSH-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The IUPAC name of [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (CID 90216497) is [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is CC(C)(NC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The InChIKey is LKKHSZQOZDZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-6(2,12-5(14)15)4(13)11-3-7(8,9)10/h12H,3H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid has a molecular weight of 228.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 90216497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).