2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine

C8H4F11NO2 — CID 158360632

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine
SMILESCOC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H4F11NO2/c1-21-3(4(9,10)11)2-20-5(12,13)7(16,17)22-8(18,19)6(20,14)15/h2H,1H3
InChIKeyGTKRQPZAMLCXRJ-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.74
Rot. Bonds2

About 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine

2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine (PubChem CID 158360632) has the molecular formula C8H4F11NO2 and a molecular weight of 355.10 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine
PubChem CID158360632
Molecular FormulaC8H4F11NO2
Molecular Weight355.10 g/mol
Exact Mass355.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine
SMILESCOC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H4F11NO2/c1-21-3(4(9,10)11)2-20-5(12,13)7(16,17)22-8(18,19)6(20,14)15/h2H,1H3
InChIKeyGTKRQPZAMLCXRJ-UHFFFAOYSA-N
XLogP3.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
CID 166464833
2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]morpholine
CID 118663194
2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
CID 166464827
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene
CID 130311890
(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine
CID 134921957
2,2,3,3,4,4,5,5-octafluoro-1-[(E)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]pyrrolidine
CID 146541686
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
CID 142664628
2,2-dimethyl-3-[(E)-3,3,3-trifluoro-2-methoxyprop-1-enyl]cyclopropane-1-carboxylic acid
CID 20564394
2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine
CID 134518820
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 135365570

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine (CID 158360632) is 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine is COC(=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine?
The InChIKey is GTKRQPZAMLCXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F11NO2/c1-21-3(4(9,10)11)2-20-5(12,13)7(16,17)22-8(18,19)6(20,14)15/h2H,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine has a molecular weight of 355.10 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine is sourced from PubChem (CID 158360632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).