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

C12H16F8N2O2 — CID 58855467

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F8N2O2/c1-21(2-3-22-4-6-24-7-5-22)9(23)11(17,18)12(19,20)10(15,16)8(13)14/h8H,2-7H2,1H3
InChIKeyREVGXCQLLJKPIH-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.95
Rot. Bonds7

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

2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 58855467) has the molecular formula C12H16F8N2O2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID58855467
Molecular FormulaC12H16F8N2O2
Molecular Weight372.26 g/mol
Exact Mass372.11
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F8N2O2/c1-21(2-3-22-4-6-24-7-5-22)9(23)11(17,18)12(19,20)10(15,16)8(13)14/h8H,2-7H2,1H3
InChIKeyREVGXCQLLJKPIH-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide with MolForge

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Related Compounds

N-Heptafluorobutyrylmorpholine
CID 544635
Pentanoic acid, morpholide
CID 304104
4-[2,2,3,3,4,4,5,5-Octafluoro-6-(4-morpholinyl)-6-oxohexanoyl]morpholine
CID 2063397
1-[4-(2-Hydroxyethyl)piperazin-1-yl]perfluoropentan-1-one
CID 3106090
3,3,3-Trifluoro-1-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 126460687
2,2,3,3,4,4,5,5-octafluoro-N-(2-morpholin-4-ylethyl)pentanamide
CID 3352188
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-morpholin-4-ylethyl)pentanamide
CID 4295691
2,2-Difluoro-4-methyl-1-morpholin-4-ylpentan-1-one
CID 57700630
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
CID 58855374
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855377
3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
CID 58855379

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide (CID 58855467) is 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-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.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is REVGXCQLLJKPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8N2O2/c1-21(2-3-22-4-6-24-7-5-22)9(23)11(17,18)12(19,20)10(15,16)8(13)14/h8H,2-7H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide?
2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 372.26 g/mol, XLogP of 1.95, 7 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-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 58855467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).