4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid

C14H14F13NO3 — CID 89220131

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid
SMILESO=C(O)C(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13NO3/c15-9(16,5-7(8(29)30)6-28-1-3-31-4-2-28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,1-6H2,(H,29,30)
InChIKeyMDAIPIPMFRXXJQ-UHFFFAOYSA-N
MW491.24 g/mol
LogP4.15
Rot. Bonds9

About 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid (PubChem CID 89220131) has the molecular formula C14H14F13NO3 and a molecular weight of 491.24 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid
PubChem CID89220131
Molecular FormulaC14H14F13NO3
Molecular Weight491.24 g/mol
Exact Mass491.08
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid
SMILESO=C(O)C(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F13NO3/c15-9(16,5-7(8(29)30)6-28-1-3-31-4-2-28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,1-6H2,(H,29,30)
InChIKeyMDAIPIPMFRXXJQ-UHFFFAOYSA-N
XLogP4.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid 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 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid (CID 89220131) is 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid is O=C(O)C(CN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid?
The InChIKey is MDAIPIPMFRXXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F13NO3/c15-9(16,5-7(8(29)30)6-28-1-3-31-4-2-28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7H,1-6H2,(H,29,30).
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid?
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid has a molecular weight of 491.24 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(morpholin-4-ylmethyl)nonanoic acid is sourced from PubChem (CID 89220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).