2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione

C9H9F8NOS — CID 71777785

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(=S)N1CCOCC1
InChIInChI=1S/C9H9F8NOS/c10-5(11)7(12,13)9(16,17)8(14,15)6(20)18-1-3-19-4-2-18/h5H,1-4H2
InChIKeyULKNNBWCBGUXRU-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.82
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione

2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione (PubChem CID 71777785) has the molecular formula C9H9F8NOS and a molecular weight of 331.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione
PubChem CID71777785
Molecular FormulaC9H9F8NOS
Molecular Weight331.23 g/mol
Exact Mass331.03
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(=S)N1CCOCC1
InChIInChI=1S/C9H9F8NOS/c10-5(11)7(12,13)9(16,17)8(14,15)6(20)18-1-3-19-4-2-18/h5H,1-4H2
InChIKeyULKNNBWCBGUXRU-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione (CID 71777785) is 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione is FC(F)C(F)(F)C(F)(F)C(F)(F)C(=S)N1CCOCC1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione?
The InChIKey is ULKNNBWCBGUXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F8NOS/c10-5(11)7(12,13)9(16,17)8(14,15)6(20)18-1-3-19-4-2-18/h5H,1-4H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione?
2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione has a molecular weight of 331.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-morpholin-4-ylpentane-1-thione is sourced from PubChem (CID 71777785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).