1-(trifluoromethylsulfanyl)hept-3-ene

C8H13F3S — CID 141487420

IUPAC1-(trifluoromethylsulfanyl)hept-3-ene
SMILESCCCC=CCCSC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h4-5H,2-3,6-7H2,1H3
InChIKeyFVFCPKLEQOFGRM-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.99
Rot. Bonds5

About 1-(trifluoromethylsulfanyl)hept-3-ene

1-(trifluoromethylsulfanyl)hept-3-ene (PubChem CID 141487420) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)hept-3-ene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)hept-3-ene
PubChem CID141487420
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Name1-(trifluoromethylsulfanyl)hept-3-ene
SMILESCCCC=CCCSC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h4-5H,2-3,6-7H2,1H3
InChIKeyFVFCPKLEQOFGRM-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)hept-3-ene?
The IUPAC name of 1-(trifluoromethylsulfanyl)hept-3-ene (CID 141487420) is 1-(trifluoromethylsulfanyl)hept-3-ene.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)hept-3-ene?
The canonical SMILES for 1-(trifluoromethylsulfanyl)hept-3-ene is CCCC=CCCSC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanyl)hept-3-ene?
The InChIKey is FVFCPKLEQOFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3S/c1-2-3-4-5-6-7-12-8(9,10)11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)hept-3-ene?
1-(trifluoromethylsulfanyl)hept-3-ene has a molecular weight of 198.25 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)hept-3-ene is sourced from PubChem (CID 141487420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).