2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene

C7H8F2S — CID 123824784

IUPAC2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=C(F)C=CCC1F
InChIInChI=1S/C7H8F2S/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3
InChIKeyZTUKLNOKRZGPJB-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.83
Rot. Bonds1

About 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene

2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 123824784) has the molecular formula C7H8F2S and a molecular weight of 162.20 g/mol. Its IUPAC name is 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene
PubChem CID123824784
Molecular FormulaC7H8F2S
Molecular Weight162.20 g/mol
Exact Mass162.03
IUPAC Name2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=C(F)C=CCC1F
InChIInChI=1S/C7H8F2S/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3
InChIKeyZTUKLNOKRZGPJB-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
2-(Trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 18614389
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
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
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
2-Fluoro-3-methylsulfanylcyclohexa-1,3-diene
CID 129214512
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
CID 138465199

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene (CID 123824784) is 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene is CSC1=C(F)C=CCC1F.
What is the InChIKey of 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is ZTUKLNOKRZGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2S/c1-10-7-5(8)3-2-4-6(7)9/h2-3,6H,4H2,1H3.
What are the key properties of 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene?
2,6-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 2,6-difluoro-1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123824784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).