4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine

C9H14F5NO2 — CID 59012997

IUPAC4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine
SMILESFC(F)(F)C(F)(F)COCCN1CCOCC1
InChIInChI=1S/C9H14F5NO2/c10-8(11,9(12,13)14)7-17-6-3-15-1-4-16-5-2-15/h1-7H2
InChIKeyYYYOCOUJZUHUIB-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.53
Rot. Bonds5

About 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine

4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine (PubChem CID 59012997) has the molecular formula C9H14F5NO2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine
PubChem CID59012997
Molecular FormulaC9H14F5NO2
Molecular Weight263.21 g/mol
Exact Mass263.09
IUPAC Name4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine
SMILESFC(F)(F)C(F)(F)COCCN1CCOCC1
InChIInChI=1S/C9H14F5NO2/c10-8(11,9(12,13)14)7-17-6-3-15-1-4-16-5-2-15/h1-7H2
InChIKeyYYYOCOUJZUHUIB-UHFFFAOYSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine (CID 59012997) is 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine is FC(F)(F)C(F)(F)COCCN1CCOCC1.
What is the InChIKey of 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine?
The InChIKey is YYYOCOUJZUHUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO2/c10-8(11,9(12,13)14)7-17-6-3-15-1-4-16-5-2-15/h1-7H2.
What are the key properties of 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine?
4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine has a molecular weight of 263.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]morpholine is sourced from PubChem (CID 59012997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).