3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene

C7H8F2S — CID 123259260

IUPAC3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=CC(F)=CC(F)C1
InChIInChI=1S/C7H8F2S/c1-10-7-3-5(8)2-6(9)4-7/h2-3,6H,4H2,1H3
InChIKeyJADUYBAZCIFWCN-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.83
Rot. Bonds1

About 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene

3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 123259260) has the molecular formula C7H8F2S and a molecular weight of 162.20 g/mol. Its IUPAC name is 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene
PubChem CID123259260
Molecular FormulaC7H8F2S
Molecular Weight162.20 g/mol
Exact Mass162.03
IUPAC Name3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=CC(F)=CC(F)C1
InChIInChI=1S/C7H8F2S/c1-10-7-3-5(8)2-6(9)4-7/h2-3,6H,4H2,1H3
InChIKeyJADUYBAZCIFWCN-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
1-(Trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17821327
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
2-Fluoro-3-methylsulfanylcyclohexa-1,3-diene
CID 129214512
2-Fluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 138465314
1-Ethylsulfanyl-5,5,6-trifluorocyclohexa-1,3-diene
CID 141547691
1-(Difluoromethylsulfanyl)-4-methylcyclohexa-1,3-diene
CID 141992966
2-Ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 142489054

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene (CID 123259260) is 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene is CSC1=CC(F)=CC(F)C1.
What is the InChIKey of 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is JADUYBAZCIFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2S/c1-10-7-3-5(8)2-6(9)4-7/h2-3,6H,4H2,1H3.
What are the key properties of 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 162.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123259260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).