5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene

C10H15FS — CID 91499370

IUPAC5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene
SMILESCCC1C=CC(SC)=C(F)C1C
InChIInChI=1S/C10H15FS/c1-4-8-5-6-9(12-3)10(11)7(8)2/h5-8H,4H2,1-3H3
InChIKeyZNMFNKJIDMRTAS-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.76
Rot. Bonds2

About 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene

5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene (PubChem CID 91499370) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene
PubChem CID91499370
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene
SMILESCCC1C=CC(SC)=C(F)C1C
InChIInChI=1S/C10H15FS/c1-4-8-5-6-9(12-3)10(11)7(8)2/h5-8H,4H2,1-3H3
InChIKeyZNMFNKJIDMRTAS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-1,4-difluoro-2-methylsulfanylcyclohexa-1,3-diene
CID 68202626
6-Ethyl-1-fluoro-3-methylsulfanylcyclohexa-1,3-diene
CID 68311918
2-Fluoro-5-propan-2-ylcyclohexa-1,3-diene
CID 89189834
6-Ethyl-2-fluoro-5-methylcyclohexa-1,3-diene
CID 89348433
1-Fluoro-5-propan-2-ylcyclohexa-1,3-diene
CID 89404661
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
5-Ethyl-2-fluoro-6-methylcyclohexa-1,3-diene
CID 123554362
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
2-Fluoro-6-propan-2-ylcyclohexa-1,3-diene
CID 130374016
6-Ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
2-Fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 141404959
2-Fluoro-5-methyl-6-propan-2-ylcyclohexa-1,3-diene
CID 166973388

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene (CID 91499370) is 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene is CCC1C=CC(SC)=C(F)C1C.
What is the InChIKey of 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is ZNMFNKJIDMRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FS/c1-4-8-5-6-9(12-3)10(11)7(8)2/h5-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene?
5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 186.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 91499370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).