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

C8H4F11NO — CID 134518820

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine
SMILESC=CC(F)(F)C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H4F11NO/c1-2-4(10,11)3(9)20-5(12,13)7(16,17)21-8(18,19)6(20,14)15/h2-3H,1H2
InChIKeyUPKASPYZUJACGE-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.81
Rot. Bonds3

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

2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine (PubChem CID 134518820) has the molecular formula C8H4F11NO and a molecular weight of 339.10 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine
PubChem CID134518820
Molecular FormulaC8H4F11NO
Molecular Weight339.10 g/mol
Exact Mass339.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine
SMILESC=CC(F)(F)C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H4F11NO/c1-2-4(10,11)3(9)20-5(12,13)7(16,17)21-8(18,19)6(20,14)15/h2-3H,1H2
InChIKeyUPKASPYZUJACGE-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
CID 130408091
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
CID 166464827
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine
CID 137440891
2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)-4-[1,2,2-trifluoro-2-(2,2,3,3-tetrafluoropropoxy)ethyl]morpholine
CID 155217366
2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
CID 142664628
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 135365570
4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
CID 166464833
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine
CID 158360632
lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
CID 173339181
2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal
CID 173272425

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine (CID 134518820) is 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine is C=CC(F)(F)C(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine?
The InChIKey is UPKASPYZUJACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F11NO/c1-2-4(10,11)3(9)20-5(12,13)7(16,17)21-8(18,19)6(20,14)15/h2-3H,1H2.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine has a molecular weight of 339.10 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-(1,2,2-trifluorobut-3-enyl)morpholine is sourced from PubChem (CID 134518820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).