2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide

C16H17F15N2O2 — CID 58855388

IUPAC2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F15N2O2/c1-32(2-3-33-4-6-35-7-5-33)9(34)12(21,22)15(27,28)13(23,24)10(17,18)8-11(19,20)14(25,26)16(29,30)31/h2-8H2,1H3
InChIKeyWEULCXASYXSGCF-UHFFFAOYSA-N
MW554.29 g/mol
LogP4.54
Rot. Bonds10

About 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide

2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide (PubChem CID 58855388) has the molecular formula C16H17F15N2O2 and a molecular weight of 554.29 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
PubChem CID58855388
Molecular FormulaC16H17F15N2O2
Molecular Weight554.29 g/mol
Exact Mass554.11
IUPAC Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F15N2O2/c1-32(2-3-33-4-6-35-7-5-33)9(34)12(21,22)15(27,28)13(23,24)10(17,18)8-11(19,20)14(25,26)16(29,30)31/h2-8H2,1H3
InChIKeyWEULCXASYXSGCF-UHFFFAOYSA-N
XLogP4.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
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 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide (CID 58855388) is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
The InChIKey is WEULCXASYXSGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F15N2O2/c1-32(2-3-33-4-6-35-7-5-33)9(34)12(21,22)15(27,28)13(23,24)10(17,18)8-11(19,20)14(25,26)16(29,30)31/h2-8H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide has a molecular weight of 554.29 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide is sourced from PubChem (CID 58855388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).