4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol

C16H16F17NO2 — CID 58855487

IUPAC4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H16F17NO2/c17-9(18,5-8(35)6-34-1-3-36-4-2-34)7-10(19,20)12(22,23)14(26,27)13(24,25)11(21,15(28,29)30)16(31,32)33/h8,35H,1-7H2
InChIKeyXBQUWUCTGUFHEK-UHFFFAOYSA-N
MW577.28 g/mol
LogP5.47
Rot. Bonds10

About 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol

4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol (PubChem CID 58855487) has the molecular formula C16H16F17NO2 and a molecular weight of 577.28 g/mol. Its IUPAC name is 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol
PubChem CID58855487
Molecular FormulaC16H16F17NO2
Molecular Weight577.28 g/mol
Exact Mass577.09
IUPAC Name4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H16F17NO2/c17-9(18,5-8(35)6-34-1-3-36-4-2-34)7-10(19,20)12(22,23)14(26,27)13(24,25)11(21,15(28,29)30)16(31,32)33/h8,35H,1-7H2
InChIKeyXBQUWUCTGUFHEK-UHFFFAOYSA-N
XLogP5.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.28
LogP ≤ 55.47
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 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol?
The IUPAC name of 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol (CID 58855487) is 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol?
The canonical SMILES for 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol is OC(CN1CCOCC1)CC(F)(F)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 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol?
The InChIKey is XBQUWUCTGUFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F17NO2/c17-9(18,5-8(35)6-34-1-3-36-4-2-34)7-10(19,20)12(22,23)14(26,27)13(24,25)11(21,15(28,29)30)16(31,32)33/h8,35H,1-7H2.
What are the key properties of 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol?
4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol has a molecular weight of 577.28 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,8,8,9,9,10,11,11,11-tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol is sourced from PubChem (CID 58855487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).