4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide

C6H10F3NO3 — CID 82722218

IUPAC4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCO)NOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-13-10-5(12)2-1-3-11/h11H,1-4H2,(H,10,12)
InChIKeyLTYPVRATOXHTOW-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.37
Rot. Bonds5

About 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide

4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 82722218) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID82722218
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCCO)NOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-13-10-5(12)2-1-3-11/h11H,1-4H2,(H,10,12)
InChIKeyLTYPVRATOXHTOW-UHFFFAOYSA-N
XLogP0.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide (CID 82722218) is 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide is O=C(CCCO)NOCC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is LTYPVRATOXHTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4-13-10-5(12)2-1-3-11/h11H,1-4H2,(H,10,12).
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide?
4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 201.14 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 82722218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).