(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol

C13H16F3NO2S — CID 103595745

IUPAC(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCN1CCSCC1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2S/c1-17-5-6-20-8-11(17)12(18)9-3-2-4-10(7-9)19-13(14,15)16/h2-4,7,11-12,18H,5-6,8H2,1H3
InChIKeyGHBVPADVBXTCQE-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.67
Rot. Bonds3

About (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol

(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 103595745) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID103595745
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCN1CCSCC1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2S/c1-17-5-6-20-8-11(17)12(18)9-3-2-4-10(7-9)19-13(14,15)16/h2-4,7,11-12,18H,5-6,8H2,1H3
InChIKeyGHBVPADVBXTCQE-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(3-methylthiomorpholin-4-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104647
N-[thiolan-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 105145863
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408

Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol (CID 103595745) is (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol is CN1CCSCC1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is GHBVPADVBXTCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-17-5-6-20-8-11(17)12(18)9-3-2-4-10(7-9)19-13(14,15)16/h2-4,7,11-12,18H,5-6,8H2,1H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 307.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 103595745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).