2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one

C16H20FNO4S — CID 46230153

IUPAC2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one
SMILESO=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1
InChIInChI=1S/C16H20FNO4S/c17-14-7-12(6-11-4-2-1-3-5-11)8-15(20)16(14)18-9-13(19)10-23(18,21)22/h7-8,11,20H,1-6,9-10H2
InChIKeyVTRAIAOHBBZALV-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one

2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one (PubChem CID 46230153) has the molecular formula C16H20FNO4S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one
PubChem CID46230153
Molecular FormulaC16H20FNO4S
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one
SMILESO=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1
InChIInChI=1S/C16H20FNO4S/c17-14-7-12(6-11-4-2-1-3-5-11)8-15(20)16(14)18-9-13(19)10-23(18,21)22/h7-8,11,20H,1-6,9-10H2
InChIKeyVTRAIAOHBBZALV-UHFFFAOYSA-N
XLogP2.37
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one with MolForge

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Related Compounds

[2-Chloro-6-[[3-hydroxy-4-(1,1,4-trioxo-1,2-thiazolidin-2-yl)phenyl]methyl]cyclohexyl] methanesulfonate
CID 46230154
1,2,5-Thiadiazolidin-3-one, 5-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-, 1,1-dioxide
CID 24856341
US20250257059, Example 13
CID 169241965
US20250257059, Example 60
CID 169241968
US20250257059, Example 19
CID 169241976
US20250257059, Example 68
CID 169241978
US20250257059, Example 31
CID 169241994
US20250257059, Example 24
CID 169242000
US20250257059, Example 32
CID 169242029
US20250257059, Example 35
CID 169242030
US20250257059, Example 64
CID 169242035
US20250257059, Example 33
CID 169242068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one?
The IUPAC name of 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one (CID 46230153) is 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one?
The canonical SMILES for 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one is O=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one?
The InChIKey is VTRAIAOHBBZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4S/c17-14-7-12(6-11-4-2-1-3-5-11)8-15(20)16(14)18-9-13(19)10-23(18,21)22/h7-8,11,20H,1-6,9-10H2.
What are the key properties of 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one?
2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one has a molecular weight of 341.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazolidin-4-one is sourced from PubChem (CID 46230153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).