4,4-difluoro-1-methylsulfanylcyclohexene

C7H10F2S — CID 162616887

IUPAC4,4-difluoro-1-methylsulfanylcyclohexene
SMILESCSC1=CCC(F)(F)CC1
InChIInChI=1S/C7H10F2S/c1-10-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3
InChIKeyCHNJPMMPEHKMPR-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.05
Rot. Bonds1

About 4,4-difluoro-1-methylsulfanylcyclohexene

4,4-difluoro-1-methylsulfanylcyclohexene (PubChem CID 162616887) has the molecular formula C7H10F2S and a molecular weight of 164.22 g/mol. Its IUPAC name is 4,4-difluoro-1-methylsulfanylcyclohexene.

Molecular Properties

Compound Name4,4-difluoro-1-methylsulfanylcyclohexene
PubChem CID162616887
Molecular FormulaC7H10F2S
Molecular Weight164.22 g/mol
Exact Mass164.05
IUPAC Name4,4-difluoro-1-methylsulfanylcyclohexene
SMILESCSC1=CCC(F)(F)CC1
InChIInChI=1S/C7H10F2S/c1-10-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3
InChIKeyCHNJPMMPEHKMPR-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Methylthio)cyclohexene
CID 5325878
(3R,4R)-3-fluoro-4-methylsulfanylcyclohexene
CID 15131262
(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
CID 15131263
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
3,5-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123259260
(E)-4-(trifluoromethylsulfanyl)hept-3-ene
CID 129042341
1-Trifluoromethylthio-1-cyclohexene
CID 132520444
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexene
CID 134474834
11-(Trifluoromethylsulfanyl)undec-5-ene
CID 141487433
10-(Trifluoromethylsulfanyl)dec-4-ene
CID 141487434
3-(Fluoromethylsulfanyl)cyclohexene
CID 141805155
(3S,6S)-3-fluoro-6-methylsulfanylcyclohexene
CID 21610095

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylsulfanylcyclohexene?
The IUPAC name of 4,4-difluoro-1-methylsulfanylcyclohexene (CID 162616887) is 4,4-difluoro-1-methylsulfanylcyclohexene.
What is the SMILES notation for 4,4-difluoro-1-methylsulfanylcyclohexene?
The canonical SMILES for 4,4-difluoro-1-methylsulfanylcyclohexene is CSC1=CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylsulfanylcyclohexene?
The InChIKey is CHNJPMMPEHKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2S/c1-10-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methylsulfanylcyclohexene?
4,4-difluoro-1-methylsulfanylcyclohexene has a molecular weight of 164.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylsulfanylcyclohexene is sourced from PubChem (CID 162616887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).