3-(trifluoromethyl)thiomorpholine

C5H8F3NS — CID 60751553

IUPAC3-(trifluoromethyl)thiomorpholine
SMILESFC(F)(F)C1CSCCN1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2
InChIKeyFRNNPEYRAMUYBE-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.25
Rot. Bonds

About 3-(trifluoromethyl)thiomorpholine

3-(trifluoromethyl)thiomorpholine (PubChem CID 60751553) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)thiomorpholine.

Molecular Properties

Compound Name3-(trifluoromethyl)thiomorpholine
PubChem CID60751553
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name3-(trifluoromethyl)thiomorpholine
SMILESFC(F)(F)C1CSCCN1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2
InChIKeyFRNNPEYRAMUYBE-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)thiomorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)thiomorpholine?
The IUPAC name of 3-(trifluoromethyl)thiomorpholine (CID 60751553) is 3-(trifluoromethyl)thiomorpholine.
What is the SMILES notation for 3-(trifluoromethyl)thiomorpholine?
The canonical SMILES for 3-(trifluoromethyl)thiomorpholine is FC(F)(F)C1CSCCN1.
What is the InChIKey of 3-(trifluoromethyl)thiomorpholine?
The InChIKey is FRNNPEYRAMUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethyl)thiomorpholine?
3-(trifluoromethyl)thiomorpholine has a molecular weight of 171.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)thiomorpholine is sourced from PubChem (CID 60751553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).