2-(trifluoromethyl)thiomorpholine

C5H8F3NS — CID 91618373

IUPAC2-(trifluoromethyl)thiomorpholine
SMILESFC(F)(F)C1CNCCS1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-3-9-1-2-10-4/h4,9H,1-3H2
InChIKeyVDMYKWRTPIJCPI-UHFFFAOYSA-N
MW171.19 g/mol
LogP1.25
Rot. Bonds

About 2-(trifluoromethyl)thiomorpholine

2-(trifluoromethyl)thiomorpholine (PubChem CID 91618373) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)thiomorpholine.

Molecular Properties

Compound Name2-(trifluoromethyl)thiomorpholine
PubChem CID91618373
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name2-(trifluoromethyl)thiomorpholine
SMILESFC(F)(F)C1CNCCS1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)4-3-9-1-2-10-4/h4,9H,1-3H2
InChIKeyVDMYKWRTPIJCPI-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

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Related Compounds

2-Methylthiomorpholine
CID 14953857
2,6-Dimethylthiomorpholine
CID 103815
4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
2,3,5-Trifluorothiomorpholine
CID 22417266
3-(Trifluoromethyl)thiomorpholine
CID 60751553
4-(Trifluoromethylthio)piperidine
CID 75530531
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
3-Fluorothiomorpholine
CID 144044062
3-(2,2-Difluoroethylsulfanyl)propyl-methanidylazanium
CID 155624802
2-Fluorothiomorpholine
CID 174312348
2,2,3-Trifluorothiomorpholine
CID 175017643
(2R)-2-Methylthiomorpholine
CID 28419117

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)thiomorpholine?
The IUPAC name of 2-(trifluoromethyl)thiomorpholine (CID 91618373) is 2-(trifluoromethyl)thiomorpholine.
What is the SMILES notation for 2-(trifluoromethyl)thiomorpholine?
The canonical SMILES for 2-(trifluoromethyl)thiomorpholine is FC(F)(F)C1CNCCS1.
What is the InChIKey of 2-(trifluoromethyl)thiomorpholine?
The InChIKey is VDMYKWRTPIJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NS/c6-5(7,8)4-3-9-1-2-10-4/h4,9H,1-3H2.
What are the key properties of 2-(trifluoromethyl)thiomorpholine?
2-(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 2-(trifluoromethyl)thiomorpholine is sourced from PubChem (CID 91618373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).