N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

C6H11ClF3NO2 — CID 175322796

IUPACN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCCC(=O)N(O)CC(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO2.ClH/c1-2-3-5(11)10(12)4-6(7,8)9;/h12H,2-4H2,1H3;1H
InChIKeyMUVLUETYAFIRDF-UHFFFAOYSA-N
MW221.61 g/mol
LogP1.99
Rot. Bonds3

About N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (PubChem CID 175322796) has the molecular formula C6H11ClF3NO2 and a molecular weight of 221.61 g/mol. Its IUPAC name is N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
PubChem CID175322796
Molecular FormulaC6H11ClF3NO2
Molecular Weight221.61 g/mol
Exact Mass221.04
IUPAC NameN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCCC(=O)N(O)CC(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO2.ClH/c1-2-3-5(11)10(12)4-6(7,8)9;/h12H,2-4H2,1H3;1H
InChIKeyMUVLUETYAFIRDF-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 51.99
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-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The IUPAC name of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (CID 175322796) is N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.
What is the SMILES notation for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The canonical SMILES for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is CCCC(=O)N(O)CC(F)(F)F.Cl.
What is the InChIKey of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The InChIKey is MUVLUETYAFIRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2.ClH/c1-2-3-5(11)10(12)4-6(7,8)9;/h12H,2-4H2,1H3;1H.
What are the key properties of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride has a molecular weight of 221.61 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is sourced from PubChem (CID 175322796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).