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

C9H12F2S — CID 173055907

IUPAC1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1C
InChIInChI=1S/C9H12F2S/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-6,8-9H,1-2H3
InChIKeyZQOSKZZYFPYRCL-UHFFFAOYSA-N
MW190.26 g/mol
LogP3.12
Rot. Bonds2

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

1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene (PubChem CID 173055907) has the molecular formula C9H12F2S and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
PubChem CID173055907
Molecular FormulaC9H12F2S
Molecular Weight190.26 g/mol
Exact Mass190.06
IUPAC Name1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1C(C(F)F)=CC=CC1C
InChIInChI=1S/C9H12F2S/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-6,8-9H,1-2H3
InChIKeyZQOSKZZYFPYRCL-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.12
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
4-(Trifluoromethyl)-2,3,3a,7a-tetrahydro-1-benzothiophene
CID 54355041
2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
5-Methyl-2-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 88986577
(E)-3-fluoro-7-methyl-5-methylidene-8-prop-2-enylsulfanyloct-3-ene
CID 89247481
2-Ethyl-3-methyl-5-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]sulfanylcyclohexa-1,3-diene
CID 89749970
3-[3-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-2H-thiete
CID 89791542
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
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

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene (CID 173055907) is 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene is CSC1C(C(F)F)=CC=CC1C.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is ZQOSKZZYFPYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2S/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-6,8-9H,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene?
1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 190.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 173055907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).