2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine

C11H8F13NO2 — CID 130408091

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
SMILESFC(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C11H8F13NO2/c12-5(6(13,7(14,15)16)4-2-1-3-26-4)25-8(17,18)10(21,22)27-11(23,24)9(25,19)20/h4-5H,1-3H2
InChIKeyNJOHTFHXBGSDKX-UHFFFAOYSA-N
MW433.16 g/mol
LogP4.43
Rot. Bonds3

About 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine

2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine (PubChem CID 130408091) has the molecular formula C11H8F13NO2 and a molecular weight of 433.16 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
PubChem CID130408091
Molecular FormulaC11H8F13NO2
Molecular Weight433.16 g/mol
Exact Mass433.03
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
SMILESFC(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C11H8F13NO2/c12-5(6(13,7(14,15)16)4-2-1-3-26-4)25-8(17,18)10(21,22)27-11(23,24)9(25,19)20/h4-5H,1-3H2
InChIKeyNJOHTFHXBGSDKX-UHFFFAOYSA-N
XLogP4.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride
CID 159579864
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine
CID 137440891
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
CID 130284264
3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
CID 59741487
2-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]ethyl]oxolane
CID 102446330
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
CID 139743782

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine (CID 130408091) is 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine is FC(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine?
The InChIKey is NJOHTFHXBGSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F13NO2/c12-5(6(13,7(14,15)16)4-2-1-3-26-4)25-8(17,18)10(21,22)27-11(23,24)9(25,19)20/h4-5H,1-3H2.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine?
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine has a molecular weight of 433.16 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine is sourced from PubChem (CID 130408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).