4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol

C11H14F9NO2 — CID 86612009

IUPAC4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-7(22)6-21-1-3-23-4-2-21/h7,22H,1-6H2
InChIKeyLTOGEYHSPHYBSM-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.54
Rot. Bonds6

About 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol

4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol (PubChem CID 86612009) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol
PubChem CID86612009
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-7(22)6-21-1-3-23-4-2-21/h7,22H,1-6H2
InChIKeyLTOGEYHSPHYBSM-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.54
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 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol (CID 86612009) is 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol is OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol?
The InChIKey is LTOGEYHSPHYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-7(22)6-21-1-3-23-4-2-21/h7,22H,1-6H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol?
4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol has a molecular weight of 363.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluoro-1-morpholin-4-ylheptan-2-ol is sourced from PubChem (CID 86612009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).