4-(1,1,2,3,3,3-hexafluoropropyl)morpholine

C7H9F6NO — CID 13499029

IUPAC4-(1,1,2,3,3,3-hexafluoropropyl)morpholine
SMILESFC(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C7H9F6NO/c8-5(6(9,10)11)7(12,13)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyFOENAJXLMVVYOY-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.81
Rot. Bonds2

About 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine

4-(1,1,2,3,3,3-hexafluoropropyl)morpholine (PubChem CID 13499029) has the molecular formula C7H9F6NO and a molecular weight of 237.14 g/mol. Its IUPAC name is 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,3,3,3-hexafluoropropyl)morpholine
PubChem CID13499029
Molecular FormulaC7H9F6NO
Molecular Weight237.14 g/mol
Exact Mass237.06
IUPAC Name4-(1,1,2,3,3,3-hexafluoropropyl)morpholine
SMILESFC(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C7H9F6NO/c8-5(6(9,10)11)7(12,13)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyFOENAJXLMVVYOY-UHFFFAOYSA-N
XLogP1.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine?
The IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine (CID 13499029) is 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine.
What is the SMILES notation for 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine?
The canonical SMILES for 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine is FC(C(F)(F)F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine?
The InChIKey is FOENAJXLMVVYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO/c8-5(6(9,10)11)7(12,13)14-1-3-15-4-2-14/h5H,1-4H2.
What are the key properties of 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine?
4-(1,1,2,3,3,3-hexafluoropropyl)morpholine has a molecular weight of 237.14 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,3,3,3-hexafluoropropyl)morpholine is sourced from PubChem (CID 13499029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).