4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol

C8H8F9NO2 — CID 129188953

IUPAC4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol
SMILESOCCCC(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H8F9NO2/c9-4(2-1-3-19)18-5(10,11)7(14,15)20-8(16,17)6(18,12)13/h4,19H,1-3H2
InChIKeyWSNYRGRKGMVQBO-UHFFFAOYSA-N
MW321.14 g/mol
LogP2.76
Rot. Bonds4

About 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol

4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol (PubChem CID 129188953) has the molecular formula C8H8F9NO2 and a molecular weight of 321.14 g/mol. Its IUPAC name is 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol
PubChem CID129188953
Molecular FormulaC8H8F9NO2
Molecular Weight321.14 g/mol
Exact Mass321.04
IUPAC Name4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol
SMILESOCCCC(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H8F9NO2/c9-4(2-1-3-19)18-5(10,11)7(14,15)20-8(16,17)6(18,12)13/h4,19H,1-3H2
InChIKeyWSNYRGRKGMVQBO-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol?
The IUPAC name of 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol (CID 129188953) is 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol.
What is the SMILES notation for 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol?
The canonical SMILES for 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol is OCCCC(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol?
The InChIKey is WSNYRGRKGMVQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F9NO2/c9-4(2-1-3-19)18-5(10,11)7(14,15)20-8(16,17)6(18,12)13/h4,19H,1-3H2.
What are the key properties of 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol?
4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol has a molecular weight of 321.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol is sourced from PubChem (CID 129188953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).