4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine

C11H14F9NO2 — CID 130418338

IUPAC4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine
SMILESFC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-7(11(18,19)20)9(14,15)5-23-6-10(16,17)8(13)21-1-3-22-4-2-21/h7-8H,1-6H2
InChIKeySTWHOCSLFAKXQM-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.80
Rot. Bonds7

About 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine

4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine (PubChem CID 130418338) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine
PubChem CID130418338
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Name4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine
SMILESFC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-7(11(18,19)20)9(14,15)5-23-6-10(16,17)8(13)21-1-3-22-4-2-21/h7-8H,1-6H2
InChIKeySTWHOCSLFAKXQM-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine?
The IUPAC name of 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine (CID 130418338) is 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine.
What is the SMILES notation for 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine?
The canonical SMILES for 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine is FC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine?
The InChIKey is STWHOCSLFAKXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c12-7(11(18,19)20)9(14,15)5-23-6-10(16,17)8(13)21-1-3-22-4-2-21/h7-8H,1-6H2.
What are the key properties of 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine?
4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine has a molecular weight of 363.22 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine is sourced from PubChem (CID 130418338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).