6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene

C8H9F3S — CID 147622584

IUPAC6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCSC1CC=CC=C1C(F)(F)F
InChIInChI=1S/C8H9F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-4,7H,5H2,1H3
InChIKeyGEDUPWTXDWAHGE-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.17
Rot. Bonds1

About 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene

6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 147622584) has the molecular formula C8H9F3S and a molecular weight of 194.22 g/mol. Its IUPAC name is 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID147622584
Molecular FormulaC8H9F3S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC Name6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCSC1CC=CC=C1C(F)(F)F
InChIInChI=1S/C8H9F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-4,7H,5H2,1H3
InChIKeyGEDUPWTXDWAHGE-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene 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

(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
4-Butyl-1-(trifluoromethyl)thiopyran
CID 57052384
(3Z)-3-ethylidene-4,4-difluorothiane
CID 68033467
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
(E)-4,4,5,5,6,6,6-heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 87187712
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
2-Ethyl-3-methyl-5-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]sulfanylcyclohexa-1,3-diene
CID 89749970
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-methylsulfanylhex-2-ene
CID 91261636
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 147622584) is 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene is CSC1CC=CC=C1C(F)(F)F.
What is the InChIKey of 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GEDUPWTXDWAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-4,7H,5H2,1H3.
What are the key properties of 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 194.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 147622584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).