4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine

C10H11F3N2S — CID 600295

IUPAC4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1ccc(N2CCSCC2)nc1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-9(14-7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyIIDJDQSCIIKWGC-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.65
Rot. Bonds1

About 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine

4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine (PubChem CID 600295) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
PubChem CID600295
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1ccc(N2CCSCC2)nc1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-9(14-7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyIIDJDQSCIIKWGC-UHFFFAOYSA-N
XLogP2.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-(trifluoromethyl)pyridine
CID 735862
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
2-Amino-3-(trifluoromethyl)pyridine
CID 2760920
Tasuldine
CID 65666
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
Arylsulfonylpiperazine, 6
CID 44237014
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
CID 667618
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013
1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11218492
11-Cyclopropyldipyrido[2,3-b:3',2'-f]azepine
CID 470618

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine (CID 600295) is 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine is FC(F)(F)c1ccc(N2CCSCC2)nc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The InChIKey is IIDJDQSCIIKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-9(14-7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine has a molecular weight of 248.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 600295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).