4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine

C16H19ClFNO2 — CID 65203091

IUPAC4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)ccc1C#CCCCl
InChIInChI=1S/C16H19ClFNO2/c17-6-2-1-3-14-4-5-15(13-16(14)18)21-12-9-19-7-10-20-11-8-19/h4-5,13H,2,6-12H2
InChIKeyVUMJZIXXGSRTJH-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine

4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine (PubChem CID 65203091) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine
PubChem CID65203091
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)ccc1C#CCCCl
InChIInChI=1S/C16H19ClFNO2/c17-6-2-1-3-14-4-5-15(13-16(14)18)21-12-9-19-7-10-20-11-8-19/h4-5,13H,2,6-12H2
InChIKeyVUMJZIXXGSRTJH-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine (CID 65203091) is 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine is Fc1cc(OCCN2CCOCC2)ccc1C#CCCCl.
What is the InChIKey of 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine?
The InChIKey is VUMJZIXXGSRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c17-6-2-1-3-14-4-5-15(13-16(14)18)21-12-9-19-7-10-20-11-8-19/h4-5,13H,2,6-12H2.
What are the key properties of 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine?
4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine has a molecular weight of 311.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorobut-1-ynyl)-3-fluorophenoxy]ethyl]morpholine is sourced from PubChem (CID 65203091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).