1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene

C7H11F3S — CID 91461096

IUPAC1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
SMILESCCC(=CCSC)C(F)(F)F
InChIInChI=1S/C7H11F3S/c1-3-6(4-5-11-2)7(8,9)10/h4H,3,5H2,1-2H3
InChIKeyBEEBZWFUNGJLQR-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.25
Rot. Bonds3

About 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene

1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene (PubChem CID 91461096) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
PubChem CID91461096
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
SMILESCCC(=CCSC)C(F)(F)F
InChIInChI=1S/C7H11F3S/c1-3-6(4-5-11-2)7(8,9)10/h4H,3,5H2,1-2H3
InChIKeyBEEBZWFUNGJLQR-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
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 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene (CID 91461096) is 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene is CCC(=CCSC)C(F)(F)F.
What is the InChIKey of 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene?
The InChIKey is BEEBZWFUNGJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c1-3-6(4-5-11-2)7(8,9)10/h4H,3,5H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene?
1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene has a molecular weight of 184.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 91461096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).