2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione

C7H8F5NOS — CID 11507063

IUPAC2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione
SMILESFC(F)(F)C(F)(F)C(=S)N1CCOCC1
InChIInChI=1S/C7H8F5NOS/c8-6(9,7(10,11)12)5(15)13-1-3-14-4-2-13/h1-4H2
InChIKeyOPKAOKUZRMAIOF-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.84
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione

2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione (PubChem CID 11507063) has the molecular formula C7H8F5NOS and a molecular weight of 249.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione
PubChem CID11507063
Molecular FormulaC7H8F5NOS
Molecular Weight249.20 g/mol
Exact Mass249.02
IUPAC Name2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione
SMILESFC(F)(F)C(F)(F)C(=S)N1CCOCC1
InChIInChI=1S/C7H8F5NOS/c8-6(9,7(10,11)12)5(15)13-1-3-14-4-2-13/h1-4H2
InChIKeyOPKAOKUZRMAIOF-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.84
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'}

Analyze 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
CID 177489628
CID 177489628
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
ethane;1-morpholin-4-ylethanethione
CID 142226083
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
methyl morpholine-4-carbodithioate
CID 5043631
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
3,3-dimethyl-1-morpholin-4-yl-1-sulfanylidenebutan-2-one
CID 130450263
phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
CID 118496995
trifluoro(morpholin-4-yl)-lambda4-sulfane
CID 2733258

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione (CID 11507063) is 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione is FC(F)(F)C(F)(F)C(=S)N1CCOCC1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione?
The InChIKey is OPKAOKUZRMAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NOS/c8-6(9,7(10,11)12)5(15)13-1-3-14-4-2-13/h1-4H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione?
2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione has a molecular weight of 249.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione is sourced from PubChem (CID 11507063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).