4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol

C14H14F15NO2 — CID 89220132

IUPAC4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F15NO2/c15-8(16,5-7(31)6-30-1-3-32-4-2-30)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h7,31H,1-6H2
InChIKeyYQZYPYYQTKTDAH-UHFFFAOYSA-N
MW513.24 g/mol
LogP4.44
Rot. Bonds8

About 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol

4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol (PubChem CID 89220132) has the molecular formula C14H14F15NO2 and a molecular weight of 513.24 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
PubChem CID89220132
Molecular FormulaC14H14F15NO2
Molecular Weight513.24 g/mol
Exact Mass513.08
IUPAC Name4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F15NO2/c15-8(16,5-7(31)6-30-1-3-32-4-2-30)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h7,31H,1-6H2
InChIKeyYQZYPYYQTKTDAH-UHFFFAOYSA-N
XLogP4.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.24
LogP ≤ 54.44
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 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol (CID 89220132) is 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol is OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
The InChIKey is YQZYPYYQTKTDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F15NO2/c15-8(16,5-7(31)6-30-1-3-32-4-2-30)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h7,31H,1-6H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol?
4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol has a molecular weight of 513.24 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol is sourced from PubChem (CID 89220132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).