2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide

C6H9F3N2O3 — CID 86605292

IUPAC2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c1-5(14,3(10)12)4(13)11-2-6(7,8)9/h14H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyIASGYANUWRQMKL-UHFFFAOYSA-N
MW214.14 g/mol
LogP-1.10
Rot. Bonds3

About 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide

2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide (PubChem CID 86605292) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
PubChem CID86605292
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c1-5(14,3(10)12)4(13)11-2-6(7,8)9/h14H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyIASGYANUWRQMKL-UHFFFAOYSA-N
XLogP-1.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The IUPAC name of 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide (CID 86605292) is 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The canonical SMILES for 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide is CC(O)(C(N)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The InChIKey is IASGYANUWRQMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c1-5(14,3(10)12)4(13)11-2-6(7,8)9/h14H,2H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide has a molecular weight of 214.14 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide is sourced from PubChem (CID 86605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).