3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene

C12H16F2S — CID 167148366

IUPAC3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene
SMILESFC1C=CC(SC2=CCCC(F)C2)CC1
InChIInChI=1S/C12H16F2S/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h3-4,6,9-11H,1-2,5,7-8H2
InChIKeyAQTWVJSVAUGBRF-UHFFFAOYSA-N
MW230.32 g/mol
LogP4.18
Rot. Bonds2

About 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene

3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene (PubChem CID 167148366) has the molecular formula C12H16F2S and a molecular weight of 230.32 g/mol. Its IUPAC name is 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene.

Molecular Properties

Compound Name3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene
PubChem CID167148366
Molecular FormulaC12H16F2S
Molecular Weight230.32 g/mol
Exact Mass230.09
IUPAC Name3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene
SMILESFC1C=CC(SC2=CCCC(F)C2)CC1
InChIInChI=1S/C12H16F2S/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h3-4,6,9-11H,1-2,5,7-8H2
InChIKeyAQTWVJSVAUGBRF-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-4-propylsulfanylhept-2-ene
CID 123775050
1-(Trifluoromethylsulfanyl)non-4-ene
CID 141487431
11-(Trifluoromethylsulfanyl)undec-5-ene
CID 141487433
10-(Trifluoromethylsulfanyl)dec-4-ene
CID 141487434
3-(Fluoromethylsulfanyl)cyclohexene
CID 141805155
(3R)-3-fluoro-5-[(5E)-5-fluorohepta-1,5-dien-2-yl]sulfanylcyclohexene
CID 156124378
5-Cyclohex-2-en-1-ylsulfanyl-1,3-difluorocyclohexa-1,3-diene
CID 156124379
5-Cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene
CID 167148375
1-Cyclohex-3-en-1-ylsulfanyl-3-(trifluoromethyl)cyclohexene
CID 167148447
1-Ethylsulfanyl-7,7-difluorohept-2-ene
CID 173104385
1-Cyclohexylsulfanylcyclohexene
CID 86176969
Cyclohexene, 3-[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]thio]-
CID 12430277

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene?
The IUPAC name of 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene (CID 167148366) is 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene.
What is the SMILES notation for 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene?
The canonical SMILES for 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene is FC1C=CC(SC2=CCCC(F)C2)CC1.
What is the InChIKey of 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene?
The InChIKey is AQTWVJSVAUGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2S/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h3-4,6,9-11H,1-2,5,7-8H2.
What are the key properties of 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene?
3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene has a molecular weight of 230.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(5-fluorocyclohexen-1-yl)sulfanylcyclohexene is sourced from PubChem (CID 167148366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).