[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol

C18H19F2NO2S — CID 97080825

IUPAC[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol
SMILESOC[C@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C18H19F2NO2S/c19-15-3-1-2-4-17(15)23-18-6-5-13(9-16(18)20)10-21-7-8-24-12-14(21)11-22/h1-6,9,14,22H,7-8,10-12H2/t14-/m0/s1
InChIKeyFEBASROZGGMOQN-AWEZNQCLSA-N
MW351.42 g/mol
LogP3.67
Rot. Bonds5

About [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol

[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol (PubChem CID 97080825) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol
PubChem CID97080825
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol
SMILESOC[C@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C18H19F2NO2S/c19-15-3-1-2-4-17(15)23-18-6-5-13(9-16(18)20)10-21-7-8-24-12-14(21)11-22/h1-6,9,14,22H,7-8,10-12H2/t14-/m0/s1
InChIKeyFEBASROZGGMOQN-AWEZNQCLSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 119909233
1-(2,2-difluoroethyl)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-1,4-diazepane
CID 136576062
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
CID 131186323
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154838099
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210624
2-[4-[(2,3-difluorophenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66444778
[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
CID 131115045
N'-[(4-benzylthiomorpholin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120513742
N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 139005364
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol (CID 97080825) is [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol is OC[C@H]1CSCCN1Cc1ccc(Oc2ccccc2F)c(F)c1.
What is the InChIKey of [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol?
The InChIKey is FEBASROZGGMOQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c19-15-3-1-2-4-17(15)23-18-6-5-13(9-16(18)20)10-21-7-8-24-12-14(21)11-22/h1-6,9,14,22H,7-8,10-12H2/t14-/m0/s1.
What are the key properties of [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol?
[(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol has a molecular weight of 351.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]thiomorpholin-3-yl]methanol is sourced from PubChem (CID 97080825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).