3,3-dimethyl-5-(trifluoromethyl)thiomorpholine

C7H12F3NS — CID 66228765

IUPAC3,3-dimethyl-5-(trifluoromethyl)thiomorpholine
SMILESCC1(C)CSCC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NS/c1-6(2)4-12-3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUSBFTEGOCKJTIQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.03
Rot. Bonds

About 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine

3,3-dimethyl-5-(trifluoromethyl)thiomorpholine (PubChem CID 66228765) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(trifluoromethyl)thiomorpholine
PubChem CID66228765
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name3,3-dimethyl-5-(trifluoromethyl)thiomorpholine
SMILESCC1(C)CSCC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NS/c1-6(2)4-12-3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUSBFTEGOCKJTIQ-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine?
The IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine (CID 66228765) is 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine.
What is the SMILES notation for 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine?
The canonical SMILES for 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine is CC1(C)CSCC(C(F)(F)F)N1.
What is the InChIKey of 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine?
The InChIKey is USBFTEGOCKJTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-6(2)4-12-3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine?
3,3-dimethyl-5-(trifluoromethyl)thiomorpholine has a molecular weight of 199.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(trifluoromethyl)thiomorpholine is sourced from PubChem (CID 66228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).