6-(trifluoromethylsulfanyl)hex-1-ene

C7H11F3S — CID 125473360

IUPAC6-(trifluoromethylsulfanyl)hex-1-ene
SMILESC=CCCCCSC(F)(F)F
InChIInChI=1S/C7H11F3S/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2
InChIKeyOBRHQZZKXLJOEP-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.60
Rot. Bonds5

About 6-(trifluoromethylsulfanyl)hex-1-ene

6-(trifluoromethylsulfanyl)hex-1-ene (PubChem CID 125473360) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)hex-1-ene.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)hex-1-ene
PubChem CID125473360
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name6-(trifluoromethylsulfanyl)hex-1-ene
SMILESC=CCCCCSC(F)(F)F
InChIInChI=1S/C7H11F3S/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2
InChIKeyOBRHQZZKXLJOEP-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.60
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 6-(trifluoromethylsulfanyl)hex-1-ene?
The IUPAC name of 6-(trifluoromethylsulfanyl)hex-1-ene (CID 125473360) is 6-(trifluoromethylsulfanyl)hex-1-ene.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)hex-1-ene?
The canonical SMILES for 6-(trifluoromethylsulfanyl)hex-1-ene is C=CCCCCSC(F)(F)F.
What is the InChIKey of 6-(trifluoromethylsulfanyl)hex-1-ene?
The InChIKey is OBRHQZZKXLJOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c1-2-3-4-5-6-11-7(8,9)10/h2H,1,3-6H2.
What are the key properties of 6-(trifluoromethylsulfanyl)hex-1-ene?
6-(trifluoromethylsulfanyl)hex-1-ene has a molecular weight of 184.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)hex-1-ene is sourced from PubChem (CID 125473360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).