2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide

C10H15F5N2O2 — CID 58855504

IUPAC2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5N2O2/c1-16(2-3-17-4-6-19-7-5-17)8(18)9(11,12)10(13,14)15/h2-7H2,1H3
InChIKeyYMWHJFUMADGAOE-UHFFFAOYSA-N
MW290.23 g/mol
LogP0.97
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide

2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 58855504) has the molecular formula C10H15F5N2O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID58855504
Molecular FormulaC10H15F5N2O2
Molecular Weight290.23 g/mol
Exact Mass290.11
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5N2O2/c1-16(2-3-17-4-6-19-7-5-17)8(18)9(11,12)10(13,14)15/h2-7H2,1H3
InChIKeyYMWHJFUMADGAOE-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 50.97
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 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 58855504) is 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is YMWHJFUMADGAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5N2O2/c1-16(2-3-17-4-6-19-7-5-17)8(18)9(11,12)10(13,14)15/h2-7H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 290.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 58855504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).