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

C16H18F14N2O2 — CID 58855509

IUPAC2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-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
InChIInChI=1S/C16H18F14N2O2/c1-31(2-3-32-4-6-34-7-5-32)10(33)14(25,26)16(29,30)15(27,28)12(21,22)8-11(19,20)13(23,24)9(17)18/h9H,2-8H2,1H3
InChIKeyGUZWAYYMROMOEO-UHFFFAOYSA-N
MW536.30 g/mol
LogP4.24
Rot. Bonds11

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

2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide (PubChem CID 58855509) has the molecular formula C16H18F14N2O2 and a molecular weight of 536.30 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-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-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
PubChem CID58855509
Molecular FormulaC16H18F14N2O2
Molecular Weight536.30 g/mol
Exact Mass536.11
IUPAC Name2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-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
InChIInChI=1S/C16H18F14N2O2/c1-31(2-3-32-4-6-34-7-5-32)10(33)14(25,26)16(29,30)15(27,28)12(21,22)8-11(19,20)13(23,24)9(17)18/h9H,2-8H2,1H3
InChIKeyGUZWAYYMROMOEO-UHFFFAOYSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.30
LogP ≤ 54.24
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-tetradecafluoro-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-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide (CID 58855509) is 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-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-tetradecafluoro-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-tetradecafluoro-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.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
The InChIKey is GUZWAYYMROMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F14N2O2/c1-31(2-3-32-4-6-34-7-5-32)10(33)14(25,26)16(29,30)15(27,28)12(21,22)8-11(19,20)13(23,24)9(17)18/h9H,2-8H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide?
2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide has a molecular weight of 536.30 g/mol, XLogP of 4.24, 11 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-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide is sourced from PubChem (CID 58855509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).