2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine

C11H13F3N2OS — CID 64534066

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine
SMILESFC(F)(F)c1ccc(SCC2CNCCO2)nc1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)8-1-2-10(16-5-8)18-7-9-6-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeySHPLRACRYJVHLT-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.18
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine (PubChem CID 64534066) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine
PubChem CID64534066
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine
SMILESFC(F)(F)c1ccc(SCC2CNCCO2)nc1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)8-1-2-10(16-5-8)18-7-9-6-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeySHPLRACRYJVHLT-UHFFFAOYSA-N
XLogP2.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-2-pyridinyl]morpholine
CID 123186475
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
CID 63703434
4-(morpholin-2-ylmethylsulfanyl)benzonitrile
CID 123849693
2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]morpholine
CID 66434796
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
CID 79322428
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
CID 64533467
1-(2-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802341
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
2-morpholin-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686331
2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
CID 118484407

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine (CID 64534066) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine is FC(F)(F)c1ccc(SCC2CNCCO2)nc1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine?
The InChIKey is SHPLRACRYJVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c12-11(13,14)8-1-2-10(16-5-8)18-7-9-6-15-3-4-17-9/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine has a molecular weight of 278.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine is sourced from PubChem (CID 64534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).