3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene

C8H11F3S — CID 166769025

IUPAC3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene
SMILESCSC1CC(C)C=C1C(F)(F)F
InChIInChI=1S/C8H11F3S/c1-5-3-6(8(9,10)11)7(4-5)12-2/h3,5,7H,4H2,1-2H3
InChIKeyDVWYCMNHRCFUPK-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene

3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene (PubChem CID 166769025) has the molecular formula C8H11F3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene
PubChem CID166769025
Molecular FormulaC8H11F3S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene
SMILESCSC1CC(C)C=C1C(F)(F)F
InChIInChI=1S/C8H11F3S/c1-5-3-6(8(9,10)11)7(4-5)12-2/h3,5,7H,4H2,1-2H3
InChIKeyDVWYCMNHRCFUPK-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene?
The IUPAC name of 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene (CID 166769025) is 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene?
The canonical SMILES for 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene is CSC1CC(C)C=C1C(F)(F)F.
What is the InChIKey of 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene?
The InChIKey is DVWYCMNHRCFUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3S/c1-5-3-6(8(9,10)11)7(4-5)12-2/h3,5,7H,4H2,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene?
3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene has a molecular weight of 196.24 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-1-(trifluoromethyl)cyclopentene is sourced from PubChem (CID 166769025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).