5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene

C12H17FS — CID 167148375

IUPAC5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene
SMILESFC1=CCC(SC2CCCCC2)C=C1
InChIInChI=1S/C12H17FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-8,11-12H,1-5,9H2
InChIKeyIFUPCIQURXWNTO-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.23
Rot. Bonds2

About 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene

5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene (PubChem CID 167148375) has the molecular formula C12H17FS and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene
PubChem CID167148375
Molecular FormulaC12H17FS
Molecular Weight212.33 g/mol
Exact Mass212.10
IUPAC Name5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene
SMILESFC1=CCC(SC2CCCCC2)C=C1
InChIInChI=1S/C12H17FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-8,11-12H,1-5,9H2
InChIKeyIFUPCIQURXWNTO-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene (CID 167148375) is 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene is FC1=CCC(SC2CCCCC2)C=C1.
What is the InChIKey of 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene?
The InChIKey is IFUPCIQURXWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-8,11-12H,1-5,9H2.
What are the key properties of 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene?
5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene has a molecular weight of 212.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylsulfanyl-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 167148375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).