ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate

C17H24FNO3 — CID 56875309

IUPACethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO3/c1-2-21-17(20)5-3-4-10-19-11-12-22-16(13-19)14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3
InChIKeyPQLLKBGSAQTUFD-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.93
Rot. Bonds7

About ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate

ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate (PubChem CID 56875309) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
PubChem CID56875309
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nameethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FNO3/c1-2-21-17(20)5-3-4-10-19-11-12-22-16(13-19)14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3
InChIKeyPQLLKBGSAQTUFD-UHFFFAOYSA-N
XLogP2.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate?
The IUPAC name of ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate (CID 56875309) is ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate.
What is the SMILES notation for ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate?
The canonical SMILES for ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate is CCOC(=O)CCCCN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate?
The InChIKey is PQLLKBGSAQTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-2-21-17(20)5-3-4-10-19-11-12-22-16(13-19)14-6-8-15(18)9-7-14/h6-9,16H,2-5,10-13H2,1H3.
What are the key properties of ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate?
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate has a molecular weight of 309.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 56875309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).