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

C6H6F7NO2 — CID 4613030

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c7-4(8,3(16)14-1-2-15)5(9,10)6(11,12)13/h15H,1-2H2,(H,14,16)
InChIKeyKPTAUHCSUNOZRL-UHFFFAOYSA-N
MW257.11 g/mol
LogP0.93
Rot. Bonds4

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

2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide (PubChem CID 4613030) has the molecular formula C6H6F7NO2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide
PubChem CID4613030
Molecular FormulaC6H6F7NO2
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c7-4(8,3(16)14-1-2-15)5(9,10)6(11,12)13/h15H,1-2H2,(H,14,16)
InChIKeyKPTAUHCSUNOZRL-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-hydroxyethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide (CID 4613030) is 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide is O=C(NCCO)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-hydroxyethyl)butanamide?
The InChIKey is KPTAUHCSUNOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO2/c7-4(8,3(16)14-1-2-15)5(9,10)6(11,12)13/h15H,1-2H2,(H,14,16).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide has a molecular weight of 257.11 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 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-hydroxyethyl)butanamide is sourced from PubChem (CID 4613030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).