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

C5H9F3N2O2 — CID 130237138

IUPAC2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-3(9)4(11)10(12)2-5(6,7)8/h3,12H,2,9H2,1H3
InChIKeyNQAQRSUWSHNFBZ-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.11
Rot. Bonds2

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

2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 130237138) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID130237138
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-3(9)4(11)10(12)2-5(6,7)8/h3,12H,2,9H2,1H3
InChIKeyNQAQRSUWSHNFBZ-UHFFFAOYSA-N
XLogP0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide (CID 130237138) is 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide is CC(N)C(=O)N(O)CC(F)(F)F.
What is the InChIKey of 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NQAQRSUWSHNFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c1-3(9)4(11)10(12)2-5(6,7)8/h3,12H,2,9H2,1H3.
What are the key properties of 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 186.13 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 130237138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).