2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine

C9H11F8NO — CID 19783531

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine
SMILESCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H11F8NO/c1-2-3-4-5-18-6(10,11)8(14,15)19-9(16,17)7(18,12)13/h2-5H2,1H3
InChIKeyMVXWRSZCKJIDMS-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.88
Rot. Bonds4

About 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine

2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine (PubChem CID 19783531) has the molecular formula C9H11F8NO and a molecular weight of 301.18 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine
PubChem CID19783531
Molecular FormulaC9H11F8NO
Molecular Weight301.18 g/mol
Exact Mass301.07
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine
SMILESCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H11F8NO/c1-2-3-4-5-18-6(10,11)8(14,15)19-9(16,17)7(18,12)13/h2-5H2,1H3
InChIKeyMVXWRSZCKJIDMS-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-pentylmorpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine (CID 19783531) is 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine is CCCCCN1C(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-pentylmorpholine?
The InChIKey is MVXWRSZCKJIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO/c1-2-3-4-5-18-6(10,11)8(14,15)19-9(16,17)7(18,12)13/h2-5H2,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine?
2,2,3,3,5,5,6,6-octafluoro-4-pentylmorpholine has a molecular weight of 301.18 g/mol, XLogP of 3.88, 4 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-pentylmorpholine is sourced from PubChem (CID 19783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).