2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine

C8H3F12NO2 — CID 118663193

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine
SMILESCO/C(F)=C(\N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F12NO2/c1-22-3(9)2(4(10,11)12)21-5(13,14)7(17,18)23-8(19,20)6(21,15)16/h1H3/b3-2-
InChIKeyJVGKSUMMLXDZQB-IHWYPQMZSA-N
MW373.09 g/mol
LogP4.04
Rot. Bonds2

About 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine

2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine (PubChem CID 118663193) has the molecular formula C8H3F12NO2 and a molecular weight of 373.09 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine
PubChem CID118663193
Molecular FormulaC8H3F12NO2
Molecular Weight373.09 g/mol
Exact Mass373.00
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine
SMILESCO/C(F)=C(\N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C8H3F12NO2/c1-22-3(9)2(4(10,11)12)21-5(13,14)7(17,18)23-8(19,20)6(21,15)16/h1H3/b3-2-
InChIKeyJVGKSUMMLXDZQB-IHWYPQMZSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine (CID 118663193) is 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine is CO/C(F)=C(\N1C(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-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine?
The InChIKey is JVGKSUMMLXDZQB-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H3F12NO2/c1-22-3(9)2(4(10,11)12)21-5(13,14)7(17,18)23-8(19,20)6(21,15)16/h1H3/b3-2-.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine has a molecular weight of 373.09 g/mol, XLogP of 4.04, 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-[(E)-1,3,3,3-tetrafluoro-1-methoxyprop-1-en-2-yl]morpholine is sourced from PubChem (CID 118663193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).