N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3NO2 — CID 130291222

IUPACN-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(2)5(11)10(12)3-6(7,8)9/h4,12H,3H2,1-2H3
InChIKeyODLSLOAJOFOUFF-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.42
Rot. Bonds2

About N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 130291222) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID130291222
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(2)5(11)10(12)3-6(7,8)9/h4,12H,3H2,1-2H3
InChIKeyODLSLOAJOFOUFF-UHFFFAOYSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 130291222) is N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)N(O)CC(F)(F)F.
What is the InChIKey of N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ODLSLOAJOFOUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(2)5(11)10(12)3-6(7,8)9/h4,12H,3H2,1-2H3.
What are the key properties of N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 185.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 130291222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).