2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide

C17H17F17N2O2 — CID 58855517

IUPAC2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide
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)C(F)(F)F
InChIInChI=1S/C17H17F17N2O2/c1-35(2-3-36-4-6-38-7-5-36)9(37)12(22,23)15(28,29)13(24,25)10(18,19)8-11(20,21)14(26,27)16(30,31)17(32,33)34/h2-8H2,1H3
InChIKeyMOKHTLOPZRVABB-UHFFFAOYSA-N
MW604.30 g/mol
LogP5.18
Rot. Bonds11

About 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide

2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide (PubChem CID 58855517) has the molecular formula C17H17F17N2O2 and a molecular weight of 604.30 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide
PubChem CID58855517
Molecular FormulaC17H17F17N2O2
Molecular Weight604.30 g/mol
Exact Mass604.10
IUPAC Name2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide
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)C(F)(F)F
InChIInChI=1S/C17H17F17N2O2/c1-35(2-3-36-4-6-38-7-5-36)9(37)12(22,23)15(28,29)13(24,25)10(18,19)8-11(20,21)14(26,27)16(30,31)17(32,33)34/h2-8H2,1H3
InChIKeyMOKHTLOPZRVABB-UHFFFAOYSA-N
XLogP5.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.30
LogP ≤ 55.18
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 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide (CID 58855517) is 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide 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)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide?
The InChIKey is MOKHTLOPZRVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F17N2O2/c1-35(2-3-36-4-6-38-7-5-36)9(37)12(22,23)15(28,29)13(24,25)10(18,19)8-11(20,21)14(26,27)16(30,31)17(32,33)34/h2-8H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide?
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide has a molecular weight of 604.30 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide is sourced from PubChem (CID 58855517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).