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

C10H11F3N2S — CID 121020750

IUPAC4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1ccnc(N2CCSCC2)c1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-14-9(7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyAOVLUAPRGYVARG-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.65
Rot. Bonds1

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

4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine (PubChem CID 121020750) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
PubChem CID121020750
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
SMILESFC(F)(F)c1ccnc(N2CCSCC2)c1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-14-9(7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2
InChIKeyAOVLUAPRGYVARG-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine (CID 121020750) is 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine is FC(F)(F)c1ccnc(N2CCSCC2)c1.
What is the InChIKey of 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
The InChIKey is AOVLUAPRGYVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c11-10(12,13)8-1-2-14-9(7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine?
4-[4-(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-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 121020750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).