2,3,5,6-tetrafluorobenzene-1,4-dithiol

C6H2F4S2 — CID 12529684

IUPAC2,3,5,6-tetrafluorobenzene-1,4-dithiol
SMILESFc1c(F)c(S)c(F)c(F)c1S
InChIInChI=1S/C6H2F4S2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKeyXGVLHDCPSWHAKN-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.82
Rot. Bonds

About 2,3,5,6-tetrafluorobenzene-1,4-dithiol

2,3,5,6-tetrafluorobenzene-1,4-dithiol (PubChem CID 12529684) has the molecular formula C6H2F4S2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluorobenzene-1,4-dithiol.

Molecular Properties

Compound Name2,3,5,6-tetrafluorobenzene-1,4-dithiol
PubChem CID12529684
Molecular FormulaC6H2F4S2
Molecular Weight214.21 g/mol
Exact Mass213.95
IUPAC Name2,3,5,6-tetrafluorobenzene-1,4-dithiol
SMILESFc1c(F)c(S)c(F)c(F)c1S
InChIInChI=1S/C6H2F4S2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKeyXGVLHDCPSWHAKN-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluorobenzene-1,4-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentafluorothiophenol
CID 13042
Pentafluorobenzenesulphenyl chloride
CID 119749
1,4-Bis(pentafluorothio)perfluorobenzene
CID 53395388
Pentafluorophenyltrifluorosulfurane
CID 23237641
1,2,3,4,5-Pentafluoro-6-(sulfinylamino)sulfanylbenzene
CID 336936
Pentafluoro(perfluorophenyl)-l6-sulfane
CID 57847695
(OC-6-32)-Chlorotetrafluoro(2,3,4,5,6-pentafluorophenyl)sulfur
CID 57847702
(2,3,4,5,6-Pentafluorophenyl) thiohypofluorite
CID 87075514
1,2,3,4,5-Pentafluoro-6-(methyldisulfanyl)benzene
CID 87156064
Chloro-[4-[chloro(tetrafluoro)-lambda6-sulfanyl]-2,3,5,6-tetrafluorophenyl]-tetrafluoro-lambda6-sulfane
CID 87318315
Pentafluorobenzenesulfenyl bromide
CID 85950292
Mercury pentafluorothiophenolate
CID 129811974

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluorobenzene-1,4-dithiol?
The IUPAC name of 2,3,5,6-tetrafluorobenzene-1,4-dithiol (CID 12529684) is 2,3,5,6-tetrafluorobenzene-1,4-dithiol.
What is the SMILES notation for 2,3,5,6-tetrafluorobenzene-1,4-dithiol?
The canonical SMILES for 2,3,5,6-tetrafluorobenzene-1,4-dithiol is Fc1c(F)c(S)c(F)c(F)c1S.
What is the InChIKey of 2,3,5,6-tetrafluorobenzene-1,4-dithiol?
The InChIKey is XGVLHDCPSWHAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4S2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H.
What are the key properties of 2,3,5,6-tetrafluorobenzene-1,4-dithiol?
2,3,5,6-tetrafluorobenzene-1,4-dithiol has a molecular weight of 214.21 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluorobenzene-1,4-dithiol is sourced from PubChem (CID 12529684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).