4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine

C6HF10NO — CID 166464833

IUPAC4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESFC(F)=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6HF10NO/c7-2(8)1-17-3(9,10)5(13,14)18-6(15,16)4(17,11)12/h1H
InChIKeyFPRRVBCNEHSEHP-UHFFFAOYSA-N
MW293.06 g/mol
LogP3.43
Rot. Bonds1

About 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine

4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine (PubChem CID 166464833) has the molecular formula C6HF10NO and a molecular weight of 293.06 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
PubChem CID166464833
Molecular FormulaC6HF10NO
Molecular Weight293.06 g/mol
Exact Mass292.99
IUPAC Name4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESFC(F)=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6HF10NO/c7-2(8)1-17-3(9,10)5(13,14)18-6(15,16)4(17,11)12/h1H
InChIKeyFPRRVBCNEHSEHP-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine?
The IUPAC name of 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine (CID 166464833) is 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine?
The canonical SMILES for 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine is FC(F)=CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine?
The InChIKey is FPRRVBCNEHSEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF10NO/c7-2(8)1-17-3(9,10)5(13,14)18-6(15,16)4(17,11)12/h1H.
What are the key properties of 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine?
4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine has a molecular weight of 293.06 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine is sourced from PubChem (CID 166464833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).