2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide

C10H13F7N2O2 — CID 567883

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20)
InChIKeyYIKDGYMMXNUBDA-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.27
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 567883) has the molecular formula C10H13F7N2O2 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID567883
Molecular FormulaC10H13F7N2O2
Molecular Weight326.21 g/mol
Exact Mass326.09
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20)
InChIKeyYIKDGYMMXNUBDA-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide (CID 567883) is 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide is O=C(NCCN1CCOCC1)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-morpholin-4-ylethyl)butanamide?
The InChIKey is YIKDGYMMXNUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(20)18-1-2-19-3-5-21-6-4-19/h1-6H2,(H,18,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 326.21 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 567883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).