6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene

C8H11FS — CID 123972244

IUPAC6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1(C)C=CC=CC1F
InChIInChI=1S/C8H11FS/c1-8(10-2)6-4-3-5-7(8)9/h3-7H,1-2H3
InChIKeyYOEZQQHIAFWGNN-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.57
Rot. Bonds1

About 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene

6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene (PubChem CID 123972244) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
PubChem CID123972244
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1(C)C=CC=CC1F
InChIInChI=1S/C8H11FS/c1-8(10-2)6-4-3-5-7(8)9/h3-7H,1-2H3
InChIKeyYOEZQQHIAFWGNN-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
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
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
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
3,5-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123259260

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene (CID 123972244) is 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene is CSC1(C)C=CC=CC1F.
What is the InChIKey of 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is YOEZQQHIAFWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FS/c1-8(10-2)6-4-3-5-7(8)9/h3-7H,1-2H3.
What are the key properties of 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123972244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).