hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane

C7H4F4O2S — CID 57124852

IUPAChydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane
SMILESC=S(=O)(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F4O2S/c1-14(12,13)4-2-3(8)5(9)7(11)6(4)10/h2H,1H2,(H,12,13)
InChIKeyASDQUGJXEWVGIY-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.79
Rot. Bonds1

About hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane

hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane (PubChem CID 57124852) has the molecular formula C7H4F4O2S and a molecular weight of 228.17 g/mol. Its IUPAC name is hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane
PubChem CID57124852
Molecular FormulaC7H4F4O2S
Molecular Weight228.17 g/mol
Exact Mass227.99
IUPAC Namehydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane
SMILESC=S(=O)(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F4O2S/c1-14(12,13)4-2-3(8)5(9)7(11)6(4)10/h2H,1H2,(H,12,13)
InChIKeyASDQUGJXEWVGIY-UHFFFAOYSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053
fluoro 2,3,4,5-tetrafluorobenzenesulfonate
CID 54456600
1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid
CID 139967626
2,3,5,6-tetrafluorobenzenesulfonic acid
CID 12504399
CID 121362412
CID 121362412
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
CID 172801487
CID 172801487
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
tert-butyl 2-[(2,3,4,5-tetrafluorophenyl)sulfonylamino]acetate
CID 162751609
2-carbamoyl-4,5-difluorobenzenesulfonic acid
CID 157144700
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288

Frequently Asked Questions

What is the IUPAC name of hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane?
The IUPAC name of hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane (CID 57124852) is hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane.
What is the SMILES notation for hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane?
The canonical SMILES for hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane is C=S(=O)(O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane?
The InChIKey is ASDQUGJXEWVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O2S/c1-14(12,13)4-2-3(8)5(9)7(11)6(4)10/h2H,1H2,(H,12,13).
What are the key properties of hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane?
hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane has a molecular weight of 228.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane is sourced from PubChem (CID 57124852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).