2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide

C7H8F7NO2 — CID 3255117

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2/c1-17-3-2-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyXTVQLRCYVUMCLK-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.58
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide (PubChem CID 3255117) has the molecular formula C7H8F7NO2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide
PubChem CID3255117
Molecular FormulaC7H8F7NO2
Molecular Weight271.13 g/mol
Exact Mass271.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2/c1-17-3-2-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKeyXTVQLRCYVUMCLK-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide (CID 3255117) is 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide is COCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide?
The InChIKey is XTVQLRCYVUMCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO2/c1-17-3-2-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide has a molecular weight of 271.13 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 3255117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).