2,3,5-trifluorothiomorpholine

C4H6F3NS — CID 22417266

IUPAC2,3,5-trifluorothiomorpholine
SMILESFC1CSC(F)C(F)N1
InChIInChI=1S/C4H6F3NS/c5-2-1-9-4(7)3(6)8-2/h2-4,8H,1H2
InChIKeyJWDWBUOOWPVSCY-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.21
Rot. Bonds

About 2,3,5-trifluorothiomorpholine

2,3,5-trifluorothiomorpholine (PubChem CID 22417266) has the molecular formula C4H6F3NS and a molecular weight of 157.16 g/mol. Its IUPAC name is 2,3,5-trifluorothiomorpholine.

Molecular Properties

Compound Name2,3,5-trifluorothiomorpholine
PubChem CID22417266
Molecular FormulaC4H6F3NS
Molecular Weight157.16 g/mol
Exact Mass157.02
IUPAC Name2,3,5-trifluorothiomorpholine
SMILESFC1CSC(F)C(F)N1
InChIInChI=1S/C4H6F3NS/c5-2-1-9-4(7)3(6)8-2/h2-4,8H,1H2
InChIKeyJWDWBUOOWPVSCY-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluorothiomorpholine?
The IUPAC name of 2,3,5-trifluorothiomorpholine (CID 22417266) is 2,3,5-trifluorothiomorpholine.
What is the SMILES notation for 2,3,5-trifluorothiomorpholine?
The canonical SMILES for 2,3,5-trifluorothiomorpholine is FC1CSC(F)C(F)N1.
What is the InChIKey of 2,3,5-trifluorothiomorpholine?
The InChIKey is JWDWBUOOWPVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NS/c5-2-1-9-4(7)3(6)8-2/h2-4,8H,1H2.
What are the key properties of 2,3,5-trifluorothiomorpholine?
2,3,5-trifluorothiomorpholine has a molecular weight of 157.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluorothiomorpholine is sourced from PubChem (CID 22417266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).