2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C19H19F2NO6S — CID 3995185

IUPAC2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19F2NO6S/c20-16-6-5-14(29(24,25)22-7-9-26-10-8-22)13-15(16)19(23)28-12-11-27-18-4-2-1-3-17(18)21/h1-6,13H,7-12H2
InChIKeyAYTXZKPETHXOEU-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.22
Rot. Bonds7

About 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 3995185) has the molecular formula C19H19F2NO6S and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID3995185
Molecular FormulaC19H19F2NO6S
Molecular Weight427.43 g/mol
Exact Mass427.09
IUPAC Name2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H19F2NO6S/c20-16-6-5-14(29(24,25)22-7-9-26-10-8-22)13-15(16)19(23)28-12-11-27-18-4-2-1-3-17(18)21/h1-6,13H,7-12H2
InChIKeyAYTXZKPETHXOEU-UHFFFAOYSA-N
XLogP2.22
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 3995185) is 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is AYTXZKPETHXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO6S/c20-16-6-5-14(29(24,25)22-7-9-26-10-8-22)13-15(16)19(23)28-12-11-27-18-4-2-1-3-17(18)21/h1-6,13H,7-12H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 427.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3995185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).