2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide

C8H9F7N2O2 — CID 4589976

IUPAC2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide
SMILESO=C(NN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7N2O2/c9-6(10,7(11,12)8(13,14)15)5(18)16-17-1-3-19-4-2-17/h1-4H2,(H,16,18)
InChIKeyONXXKJMYBSQXHL-UHFFFAOYSA-N
MW298.16 g/mol
LogP1.18
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide (PubChem CID 4589976) has the molecular formula C8H9F7N2O2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide
PubChem CID4589976
Molecular FormulaC8H9F7N2O2
Molecular Weight298.16 g/mol
Exact Mass298.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide
SMILESO=C(NN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7N2O2/c9-6(10,7(11,12)8(13,14)15)5(18)16-17-1-3-19-4-2-17/h1-4H2,(H,16,18)
InChIKeyONXXKJMYBSQXHL-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-morpholin-4-ylpentanamide
CID 4603368
N-morpholin-4-yl-2-oxoacetamide
CID 18449823
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
2-amino-2-methyl-N-morpholin-4-ylbutanamide
CID 83016006
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
5,5-dimethyl-N-morpholin-4-yl-2,4-dioxohexanamide
CID 139707460
2-chloro-N-morpholin-4-ylacetamide
CID 3653953
1,1-dimethyl-3-morpholin-4-ylurea
CID 116657343
N-morpholin-4-yl-2-sulfanylacetamide
CID 83024350
2-cyano-N-morpholin-4-yl-2-propylpentanamide
CID 83016602
morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide (CID 4589976) is 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide is O=C(NN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide?
The InChIKey is ONXXKJMYBSQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7N2O2/c9-6(10,7(11,12)8(13,14)15)5(18)16-17-1-3-19-4-2-17/h1-4H2,(H,16,18).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-morpholin-4-ylbutanamide has a molecular weight of 298.16 g/mol, XLogP of 1.18, 3 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-morpholin-4-ylbutanamide is sourced from PubChem (CID 4589976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).