2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene

C10H15FS — CID 142489054

IUPAC2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
SMILESCCC1=CCC(C)(SC)C=C1F
InChIInChI=1S/C10H15FS/c1-4-8-5-6-10(2,12-3)7-9(8)11/h5,7H,4,6H2,1-3H3
InChIKeyBVQGDFVZCZAMMI-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.70
Rot. Bonds2

About 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene

2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene (PubChem CID 142489054) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
PubChem CID142489054
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
SMILESCCC1=CCC(C)(SC)C=C1F
InChIInChI=1S/C10H15FS/c1-4-8-5-6-10(2,12-3)7-9(8)11/h5,7H,4,6H2,1-3H3
InChIKeyBVQGDFVZCZAMMI-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
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
(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene
CID 89233480
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
3,5-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123259260
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene (CID 142489054) is 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene is CCC1=CCC(C)(SC)C=C1F.
What is the InChIKey of 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is BVQGDFVZCZAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FS/c1-4-8-5-6-10(2,12-3)7-9(8)11/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene?
2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 186.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 142489054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).