1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C14H18F3NO2S — CID 103595709

IUPAC1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-18-6-7-21-9-12(18)13(19)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-5,12-13,19H,6-9H2,1H3
InChIKeyJDELSVAJMUHESZ-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 103595709) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID103595709
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-18-6-7-21-9-12(18)13(19)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-5,12-13,19H,6-9H2,1H3
InChIKeyJDELSVAJMUHESZ-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 103595745
1-(thiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105136631
1-(1,4-dithian-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 79973094
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
chloro (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 142758189
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 103595709) is 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is CN1CCSCC1C(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is JDELSVAJMUHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-18-6-7-21-9-12(18)13(19)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-5,12-13,19H,6-9H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 321.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 103595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).