4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol

C12H14F11NO2 — CID 89220129

IUPAC4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F11NO2/c13-8(14,5-7(25)6-24-1-3-26-4-2-24)10(16,17)9(15,11(18,19)20)12(21,22)23/h7,25H,1-6H2
InChIKeyYLAXWIIIIBYBAV-UHFFFAOYSA-N
MW413.23 g/mol
LogP3.17
Rot. Bonds6

About 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol

4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol (PubChem CID 89220129) has the molecular formula C12H14F11NO2 and a molecular weight of 413.23 g/mol. Its IUPAC name is 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
PubChem CID89220129
Molecular FormulaC12H14F11NO2
Molecular Weight413.23 g/mol
Exact Mass413.08
IUPAC Name4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F11NO2/c13-8(14,5-7(25)6-24-1-3-26-4-2-24)10(16,17)9(15,11(18,19)20)12(21,22)23/h7,25H,1-6H2
InChIKeyYLAXWIIIIBYBAV-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The IUPAC name of 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol (CID 89220129) is 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol.
What is the SMILES notation for 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The canonical SMILES for 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol is OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
The InChIKey is YLAXWIIIIBYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F11NO2/c13-8(14,5-7(25)6-24-1-3-26-4-2-24)10(16,17)9(15,11(18,19)20)12(21,22)23/h7,25H,1-6H2.
What are the key properties of 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol?
4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol has a molecular weight of 413.23 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,7,7,7-octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol is sourced from PubChem (CID 89220129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).