4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol

C15H16F15NO2 — CID 58855426

IUPAC4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F15NO2/c16-9(17,5-8(32)6-31-1-3-33-4-2-31)7-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h8,32H,1-7H2
InChIKeyVHFFYWIMHYLEFC-UHFFFAOYSA-N
MW527.27 g/mol
LogP4.83
Rot. Bonds10

About 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol

4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol (PubChem CID 58855426) has the molecular formula C15H16F15NO2 and a molecular weight of 527.27 g/mol. Its IUPAC name is 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol
PubChem CID58855426
Molecular FormulaC15H16F15NO2
Molecular Weight527.27 g/mol
Exact Mass527.09
IUPAC Name4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F15NO2/c16-9(17,5-8(32)6-31-1-3-33-4-2-31)7-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h8,32H,1-7H2
InChIKeyVHFFYWIMHYLEFC-UHFFFAOYSA-N
XLogP4.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol?
The IUPAC name of 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol (CID 58855426) is 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol?
The canonical SMILES for 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol is OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol?
The InChIKey is VHFFYWIMHYLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F15NO2/c16-9(17,5-8(32)6-31-1-3-33-4-2-31)7-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h8,32H,1-7H2.
What are the key properties of 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol?
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol has a molecular weight of 527.27 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-ol is sourced from PubChem (CID 58855426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).