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

C6H7F6NO2 — CID 81340810

IUPAC4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCC(F)(F)F)NOCC(F)(F)F
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)2-1-4(14)13-15-3-6(10,11)12/h1-3H2,(H,13,14)
InChIKeyLOXPYXNVQKVRMH-UHFFFAOYSA-N
MW239.11 g/mol
LogP1.94
Rot. Bonds4

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

4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81340810) has the molecular formula C6H7F6NO2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81340810
Molecular FormulaC6H7F6NO2
Molecular Weight239.11 g/mol
Exact Mass239.04
IUPAC Name4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide
SMILESO=C(CCC(F)(F)F)NOCC(F)(F)F
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)2-1-4(14)13-15-3-6(10,11)12/h1-3H2,(H,13,14)
InChIKeyLOXPYXNVQKVRMH-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide (CID 81340810) is 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide is O=C(CCC(F)(F)F)NOCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is LOXPYXNVQKVRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c7-5(8,9)2-1-4(14)13-15-3-6(10,11)12/h1-3H2,(H,13,14).
What are the key properties of 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide?
4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 239.11 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81340810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).