1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene

C10H15FS — CID 173055919

IUPAC1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(C)F)=CC=CC1C
InChIInChI=1S/C10H15FS/c1-7-5-4-6-9(8(2)11)10(7)12-3/h4-8,10H,1-3H3
InChIKeyVZEYWCGBUUDAPK-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.21
Rot. Bonds2

About 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene

1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene (PubChem CID 173055919) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
PubChem CID173055919
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(C)F)=CC=CC1C
InChIInChI=1S/C10H15FS/c1-7-5-4-6-9(8(2)11)10(7)12-3/h4-8,10H,1-3H3
InChIKeyVZEYWCGBUUDAPK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
(E)-3-fluoro-7-methyl-5-methylidene-8-prop-2-enylsulfanyloct-3-ene
CID 89247481
3-[3-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2H-thiete
CID 89791542
5-Ethyl-1-fluoro-6-methyl-2-methylsulfanylcyclohexa-1,3-diene
CID 91499370
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
3,5-Difluoro-2-methyl-1-(2-methyl-3-methylsulfanylpropyl)cyclohexa-1,3-diene
CID 123848012
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-1-(fluoromethyl)cyclohexa-1,3-diene
CID 130391135
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene (CID 173055919) is 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene is CSC1C(C(C)F)=CC=CC1C.
What is the InChIKey of 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is VZEYWCGBUUDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FS/c1-7-5-4-6-9(8(2)11)10(7)12-3/h4-8,10H,1-3H3.
What are the key properties of 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 186.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 173055919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).