4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol

C10H10F4S — CID 144813855

IUPAC4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol
SMILESCC(C)(C)c1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C10H10F4S/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12/h15H,1-3H3
InChIKeyVTMYNJYDMJMZSM-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.83
Rot. Bonds

About 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol

4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol (PubChem CID 144813855) has the molecular formula C10H10F4S and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol.

Molecular Properties

Compound Name4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol
PubChem CID144813855
Molecular FormulaC10H10F4S
Molecular Weight238.25 g/mol
Exact Mass238.04
IUPAC Name4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol
SMILESCC(C)(C)c1c(F)c(F)c(S)c(F)c1F
InChIInChI=1S/C10H10F4S/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12/h15H,1-3H3
InChIKeyVTMYNJYDMJMZSM-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluorobenzene-1,4-dithiol
CID 12529684
1-tert-butyl-2,3,5,6-tetrafluoro-4-(3-methylpentan-3-yl)benzene
CID 88879117
1-tert-butyl-4-(4-tert-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzene
CID 122472031
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-fluoro-(2,3,4,5,6-pentafluorophenyl)borane
CID 140727428
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
ethane;2,3,4,5,6-pentafluorobenzenethiol;propane
CID 142404635
[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite
CID 141441205
2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
CID 155699837
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzenethiol
CID 144962072
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetrafluorophenyl)-3,4,5-trifluoro-6-methylbenzene
CID 158547115
1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
CID 23272706
1-[3,5-bis(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)phenyl]-4-tert-butyl-2,3,5,6-tetrafluorobenzene
CID 155371318

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol?
The IUPAC name of 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol (CID 144813855) is 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol.
What is the SMILES notation for 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol?
The canonical SMILES for 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol is CC(C)(C)c1c(F)c(F)c(S)c(F)c1F.
What is the InChIKey of 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol?
The InChIKey is VTMYNJYDMJMZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4S/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12/h15H,1-3H3.
What are the key properties of 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol?
4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol has a molecular weight of 238.25 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3,5,6-tetrafluorobenzenethiol is sourced from PubChem (CID 144813855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).