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

C7F15NO — CID 14172428

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F15NO/c8-1(9,2(10,11)12)3(13,14)23-4(15,16)6(19,20)24-7(21,22)5(23,17)18
InChIKeyJSCNNFNZCLWGRW-UHFFFAOYSA-N
MW399.05 g/mol
LogP4.48
Rot. Bonds2

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

2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine (PubChem CID 14172428) has the molecular formula C7F15NO and a molecular weight of 399.05 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
PubChem CID14172428
Molecular FormulaC7F15NO
Molecular Weight399.05 g/mol
Exact Mass398.97
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F15NO/c8-1(9,2(10,11)12)3(13,14)23-4(15,16)6(19,20)24-7(21,22)5(23,17)18
InChIKeyJSCNNFNZCLWGRW-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.05
LogP ≤ 54.48
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 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine (CID 14172428) is 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine is FC(F)(F)C(F)(F)C(F)(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-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine?
The InChIKey is JSCNNFNZCLWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F15NO/c8-1(9,2(10,11)12)3(13,14)23-4(15,16)6(19,20)24-7(21,22)5(23,17)18.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine has a molecular weight of 399.05 g/mol, XLogP of 4.48, 2 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-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine is sourced from PubChem (CID 14172428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).