4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine

C17H20FNO6S — CID 177256764

IUPAC4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine
SMILESC#CC(CC)OC(C(=O)N1CCOCC1)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C17H20FNO6S/c1-3-14(4-2)24-16(17(20)19-9-11-23-12-10-19)13-5-7-15(8-6-13)25-26(18,21)22/h1,5-8,14,16H,4,9-12H2,2H3
InChIKeyHWEALTPBSKWXIM-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.61
Rot. Bonds7

About 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine

4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine (PubChem CID 177256764) has the molecular formula C17H20FNO6S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine
PubChem CID177256764
Molecular FormulaC17H20FNO6S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine
SMILESC#CC(CC)OC(C(=O)N1CCOCC1)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C17H20FNO6S/c1-3-14(4-2)24-16(17(20)19-9-11-23-12-10-19)13-5-7-15(8-6-13)25-26(18,21)22/h1,5-8,14,16H,4,9-12H2,2H3
InChIKeyHWEALTPBSKWXIM-UHFFFAOYSA-N
XLogP1.61
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine?
The IUPAC name of 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine (CID 177256764) is 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine.
What is the SMILES notation for 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine?
The canonical SMILES for 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine is C#CC(CC)OC(C(=O)N1CCOCC1)c1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine?
The InChIKey is HWEALTPBSKWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO6S/c1-3-14(4-2)24-16(17(20)19-9-11-23-12-10-19)13-5-7-15(8-6-13)25-26(18,21)22/h1,5-8,14,16H,4,9-12H2,2H3.
What are the key properties of 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine?
4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine has a molecular weight of 385.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorosulfonyloxyphenyl)-2-pent-1-yn-3-yloxyacetyl]morpholine is sourced from PubChem (CID 177256764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).