1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene

C8H11FS — CID 123280775

IUPAC1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
SMILESCC1CC=CC=C1SCF
InChIInChI=1S/C8H11FS/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6H2,1H3
InChIKeyWQOGDVIKKMODDF-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.13
Rot. Bonds2

About 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene

1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene (PubChem CID 123280775) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
PubChem CID123280775
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
SMILESCC1CC=CC=C1SCF
InChIInChI=1S/C8H11FS/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6H2,1H3
InChIKeyWQOGDVIKKMODDF-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3a,7a-Dihydro-1-benzothiophene
CID 18380278
1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
2-Fluoro-5-(2-methylbutan-2-ylsulfanyl)cyclohexa-1,3-diene
CID 68058112
5-Ethyl-1,4-difluoro-2-methylsulfanylcyclohexa-1,3-diene
CID 68202626
6-Ethyl-1-fluoro-3-methylsulfanylcyclohexa-1,3-diene
CID 68311918
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
5-Methyl-2-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 88986577
5-Ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene
CID 91499370
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene (CID 123280775) is 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene is CC1CC=CC=C1SCF.
What is the InChIKey of 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene?
The InChIKey is WQOGDVIKKMODDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FS/c1-7-4-2-3-5-8(7)10-6-9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene?
1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123280775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).