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

C8H10F7NO2 — CID 4151241

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-18-4-2-3-16-5(17)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3,(H,16,17)
InChIKeyDUEXDOVBAURSAG-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.97
Rot. Bonds6

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

2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide (PubChem CID 4151241) has the molecular formula C8H10F7NO2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide
PubChem CID4151241
Molecular FormulaC8H10F7NO2
Molecular Weight285.16 g/mol
Exact Mass285.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-18-4-2-3-16-5(17)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3,(H,16,17)
InChIKeyDUEXDOVBAURSAG-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.97
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-(3-methoxypropyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide (CID 4151241) is 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide is COCCCNC(=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-(3-methoxypropyl)butanamide?
The InChIKey is DUEXDOVBAURSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO2/c1-18-4-2-3-16-5(17)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3,(H,16,17).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide has a molecular weight of 285.16 g/mol, XLogP of 1.97, 6 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-(3-methoxypropyl)butanamide is sourced from PubChem (CID 4151241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).