thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone

C11H10F3NOS — CID 164512728

IUPACthiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCSCC1
InChIInChI=1S/C11H10F3NOS/c12-7-5-8(13)10(9(14)6-7)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyNWQAIBGYSKRHGQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.29
Rot. Bonds1

About thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone

thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 164512728) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID164512728
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Namethiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCSCC1
InChIInChI=1S/C11H10F3NOS/c12-7-5-8(13)10(9(14)6-7)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyNWQAIBGYSKRHGQ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(methylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 63187323
(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 65100423
(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 70858755
(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82511555
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100273
(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 66203787
(2-amino-6-fluoro-3-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 107122905
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 112627290
[3-bromo-4-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 176508144
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 80979556
(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
CID 62650571

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone (CID 164512728) is thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is NWQAIBGYSKRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-7-5-8(13)10(9(14)6-7)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2.
What are the key properties of thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone?
thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 261.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 164512728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).