4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine

C8H11F6NO2 — CID 18725574

IUPAC4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H11F6NO2/c1-16-8(13,14)6(9,10)7(11,12)15-2-4-17-5-3-15/h2-5H2,1H3
InChIKeyJVYSGBMVSMLIJZ-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.79
Rot. Bonds4

About 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine

4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine (PubChem CID 18725574) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine
PubChem CID18725574
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H11F6NO2/c1-16-8(13,14)6(9,10)7(11,12)15-2-4-17-5-3-15/h2-5H2,1H3
InChIKeyJVYSGBMVSMLIJZ-UHFFFAOYSA-N
XLogP1.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine?
The IUPAC name of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine (CID 18725574) is 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine.
What is the SMILES notation for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine?
The canonical SMILES for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine is COC(F)(F)C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine?
The InChIKey is JVYSGBMVSMLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-16-8(13,14)6(9,10)7(11,12)15-2-4-17-5-3-15/h2-5H2,1H3.
What are the key properties of 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine?
4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine has a molecular weight of 267.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)morpholine is sourced from PubChem (CID 18725574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).