2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane

C11H12F3NS — CID 66218013

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)(F)c1cccc(C2NCCCS2)c1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2
InChIKeyLOJBJCPYGNYOQA-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.43
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane

2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane (PubChem CID 66218013) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
PubChem CID66218013
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)(F)c1cccc(C2NCCCS2)c1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2
InChIKeyLOJBJCPYGNYOQA-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane (CID 66218013) is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane is FC(F)(F)c1cccc(C2NCCCS2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The InChIKey is LOJBJCPYGNYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane has a molecular weight of 247.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane is sourced from PubChem (CID 66218013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).