2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine

C7H7F8NO — CID 22172824

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine
SMILESCC(C)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H7F8NO/c1-3(2)16-4(8,9)6(12,13)17-7(14,15)5(16,10)11/h3H,1-2H3
InChIKeyVNQDQRACRQOKOW-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.10
Rot. Bonds1

About 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine

2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine (PubChem CID 22172824) has the molecular formula C7H7F8NO and a molecular weight of 273.12 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine
PubChem CID22172824
Molecular FormulaC7H7F8NO
Molecular Weight273.12 g/mol
Exact Mass273.04
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine
SMILESCC(C)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H7F8NO/c1-3(2)16-4(8,9)6(12,13)17-7(14,15)5(16,10)11/h3H,1-2H3
InChIKeyVNQDQRACRQOKOW-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.10
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-propan-2-ylmorpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine (CID 22172824) is 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine is CC(C)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-propan-2-ylmorpholine?
The InChIKey is VNQDQRACRQOKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F8NO/c1-3(2)16-4(8,9)6(12,13)17-7(14,15)5(16,10)11/h3H,1-2H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine?
2,2,3,3,5,5,6,6-octafluoro-4-propan-2-ylmorpholine has a molecular weight of 273.12 g/mol, XLogP of 3.10, 1 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-propan-2-ylmorpholine is sourced from PubChem (CID 22172824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).