4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine

C11H8F13NO2 — CID 138750246

IUPAC4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H8F13NO2/c12-5(6(13)14)7(15,16)27-11(23,24)9(19,20)8(17,18)10(21,22)25-1-3-26-4-2-25/h1-4H2
InChIKeyOXEBDECHTSSTRR-UHFFFAOYSA-N
MW433.16 g/mol
LogP4.46
Rot. Bonds7

About 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine

4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine (PubChem CID 138750246) has the molecular formula C11H8F13NO2 and a molecular weight of 433.16 g/mol. Its IUPAC name is 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
PubChem CID138750246
Molecular FormulaC11H8F13NO2
Molecular Weight433.16 g/mol
Exact Mass433.03
IUPAC Name4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C11H8F13NO2/c12-5(6(13)14)7(15,16)27-11(23,24)9(19,20)8(17,18)10(21,22)25-1-3-26-4-2-25/h1-4H2
InChIKeyOXEBDECHTSSTRR-UHFFFAOYSA-N
XLogP4.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
CID 142605367
4-[3-ethoxy-1,1,2,2,4,4,4-heptafluoro-3-(trifluoromethyl)butyl]morpholine
CID 156806392
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
methylcyclopentane;1,1,2,2-tetrafluoro-2-morpholin-4-ylethanolate
CID 54333395
1-(1,1,2,3,3-pentafluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129271427
4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
CID 90955605
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
CID 113327114
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
CID 24853903
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine?
The IUPAC name of 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine (CID 138750246) is 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine.
What is the SMILES notation for 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine?
The canonical SMILES for 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine is FC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine?
The InChIKey is OXEBDECHTSSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F13NO2/c12-5(6(13)14)7(15,16)27-11(23,24)9(19,20)8(17,18)10(21,22)25-1-3-26-4-2-25/h1-4H2.
What are the key properties of 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine?
4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine has a molecular weight of 433.16 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)butyl]morpholine is sourced from PubChem (CID 138750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).