2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol

C8H8F4S — CID 21245995

IUPAC2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
SMILESCC1C(F)=C(F)C(S)=C(F)C1(C)F
InChIInChI=1S/C8H8F4S/c1-3-4(9)5(10)6(13)7(11)8(3,2)12/h3,13H,1-2H3
InChIKeyRDKGHUQFSBGONN-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.63
Rot. Bonds

About 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol

2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol (PubChem CID 21245995) has the molecular formula C8H8F4S and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
PubChem CID21245995
Molecular FormulaC8H8F4S
Molecular Weight212.21 g/mol
Exact Mass212.03
IUPAC Name2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
SMILESCC1C(F)=C(F)C(S)=C(F)C1(C)F
InChIInChI=1S/C8H8F4S/c1-3-4(9)5(10)6(13)7(11)8(3,2)12/h3,13H,1-2H3
InChIKeyRDKGHUQFSBGONN-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol 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

tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
CID 174225846
1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
CID 87084189
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
CID 70672909
1,5-difluoro-5,6-dimethyl-4-nitrocyclohexa-1,3-diene
CID 163941629
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
(2,3,4,5,6-pentafluoro-1-methylcyclohexa-2,4-dien-1-yl)-bis(2,3,4,5,6-pentafluorophenoxy)borane
CID 141371951
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 118423800
4-(bromomethyl)-2,3,5,6-tetrafluoro-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 69458354
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol?
The IUPAC name of 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol (CID 21245995) is 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol?
The canonical SMILES for 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol is CC1C(F)=C(F)C(S)=C(F)C1(C)F.
What is the InChIKey of 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol?
The InChIKey is RDKGHUQFSBGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4S/c1-3-4(9)5(10)6(13)7(11)8(3,2)12/h3,13H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol?
2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol has a molecular weight of 212.21 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol is sourced from PubChem (CID 21245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).