2,2,3,3,4,6-hexafluoromorpholine

C4H3F6NO — CID 169085483

IUPAC2,2,3,3,4,6-hexafluoromorpholine
SMILESFC1CN(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C4H3F6NO/c5-2-1-11(10)3(6,7)4(8,9)12-2/h2H,1H2
InChIKeyXRYDDYIUJZWOBO-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.68
Rot. Bonds

About 2,2,3,3,4,6-hexafluoromorpholine

2,2,3,3,4,6-hexafluoromorpholine (PubChem CID 169085483) has the molecular formula C4H3F6NO and a molecular weight of 195.06 g/mol. Its IUPAC name is 2,2,3,3,4,6-hexafluoromorpholine.

Molecular Properties

Compound Name2,2,3,3,4,6-hexafluoromorpholine
PubChem CID169085483
Molecular FormulaC4H3F6NO
Molecular Weight195.06 g/mol
Exact Mass195.01
IUPAC Name2,2,3,3,4,6-hexafluoromorpholine
SMILESFC1CN(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C4H3F6NO/c5-2-1-11(10)3(6,7)4(8,9)12-2/h2H,1H2
InChIKeyXRYDDYIUJZWOBO-UHFFFAOYSA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine
CID 150456202
2-fluoro-4-methylmorpholine
CID 86015545
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
CID 75360843
4-fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
3-fluoroazetidine-1-sulfonamide
CID 70347983
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
2,2-dichloro-4-fluoro-1,3-dioxolane
CID 154217864
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869
2,2,3,3-tetrafluoro-1,4-dioxane
CID 12581607

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,6-hexafluoromorpholine?
The IUPAC name of 2,2,3,3,4,6-hexafluoromorpholine (CID 169085483) is 2,2,3,3,4,6-hexafluoromorpholine.
What is the SMILES notation for 2,2,3,3,4,6-hexafluoromorpholine?
The canonical SMILES for 2,2,3,3,4,6-hexafluoromorpholine is FC1CN(F)C(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,4,6-hexafluoromorpholine?
The InChIKey is XRYDDYIUJZWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO/c5-2-1-11(10)3(6,7)4(8,9)12-2/h2H,1H2.
What are the key properties of 2,2,3,3,4,6-hexafluoromorpholine?
2,2,3,3,4,6-hexafluoromorpholine has a molecular weight of 195.06 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,6-hexafluoromorpholine is sourced from PubChem (CID 169085483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).