2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide

C12H15F9N2O2 — CID 58855449

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9N2O2/c1-22(2-3-23-4-6-25-7-5-23)8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-7H2,1H3
InChIKeyIBFQFOURUCFQBI-UHFFFAOYSA-N
MW390.25 g/mol
LogP2.25
Rot. Bonds6

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 58855449) has the molecular formula C12H15F9N2O2 and a molecular weight of 390.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID58855449
Molecular FormulaC12H15F9N2O2
Molecular Weight390.25 g/mol
Exact Mass390.10
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9N2O2/c1-22(2-3-23-4-6-25-7-5-23)8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-7H2,1H3
InChIKeyIBFQFOURUCFQBI-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 52.25
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 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 58855449) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is IBFQFOURUCFQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9N2O2/c1-22(2-3-23-4-6-25-7-5-23)8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-7H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 390.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 58855449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).