(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol

C12H15F2NOS — CID 103595528

IUPAC(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NOS/c1-15-2-3-17-7-11(15)12(16)8-4-9(13)6-10(14)5-8/h4-6,11-12,16H,2-3,7H2,1H3
InChIKeyGMJDYVIFZLNURF-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.05
Rot. Bonds2

About (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol

(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595528) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595528
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NOS/c1-15-2-3-17-7-11(15)12(16)8-4-9(13)6-10(14)5-8/h4-6,11-12,16H,2-3,7H2,1H3
InChIKeyGMJDYVIFZLNURF-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 103595745
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595651
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methanol
CID 79973042

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595528) is (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol is CN1CCSCC1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is GMJDYVIFZLNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-15-2-3-17-7-11(15)12(16)8-4-9(13)6-10(14)5-8/h4-6,11-12,16H,2-3,7H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 259.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).