4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol

C13H16F11NO2 — CID 118438299

IUPAC4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C13H16F11NO2/c14-7-10(17,18)12(21,22)13(23,24)11(19,20)9(15,16)5-8(26)6-25-1-3-27-4-2-25/h8,26H,1-7H2
InChIKeyZYEHTNWCRGTGRR-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.22
Rot. Bonds9

About 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol

4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol (PubChem CID 118438299) has the molecular formula C13H16F11NO2 and a molecular weight of 427.25 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
PubChem CID118438299
Molecular FormulaC13H16F11NO2
Molecular Weight427.25 g/mol
Exact Mass427.10
IUPAC Name4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C13H16F11NO2/c14-7-10(17,18)12(21,22)13(23,24)11(19,20)9(15,16)5-8(26)6-25-1-3-27-4-2-25/h8,26H,1-7H2
InChIKeyZYEHTNWCRGTGRR-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-Morpholin-4-ylhexadecan-2-ol
CID 57398466
Bis(2-hydroxyethyl)-methyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)azanium
CID 21149712
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-hydroxytridecyl)-bis(2-hydroxyethyl)-methylazanium
CID 21149714
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl)-bis(2-hydroxyethyl)-methylazanium
CID 21149716
1-(4-Morpholino)-2-dodecanol
CID 10967622
4-[8-(2,2-Difluoropropoxy)octyl]morpholine
CID 58341579
4,4,6,6,7,7,7-Heptafluoro-1-morpholin-4-ylheptan-2-ol
CID 58855373
4,4,6,6,7,7,8,9,9,9-Decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
CID 58855395
4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 58855406
4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-(2-morpholin-4-ylethoxy)undecan-2-ol
CID 58855420
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-ol
CID 58855426
4,4,5,5,7,7,8,8,9,9,10,10,11,11,13,13,13-Heptadecafluoro-1-(2-morpholin-4-ylethoxy)tridecan-2-ol
CID 58855432

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol (CID 118438299) is 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol is OC(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
The InChIKey is ZYEHTNWCRGTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F11NO2/c14-7-10(17,18)12(21,22)13(23,24)11(19,20)9(15,16)5-8(26)6-25-1-3-27-4-2-25/h8,26H,1-7H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol?
4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol has a molecular weight of 427.25 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9-undecafluoro-1-morpholin-4-ylnonan-2-ol is sourced from PubChem (CID 118438299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).