1-(trifluoromethylsulfanyl)non-4-ene

C10H17F3S — CID 141487431

IUPAC1-(trifluoromethylsulfanyl)non-4-ene
SMILESCCCCC=CCCCSC(F)(F)F
InChIInChI=1S/C10H17F3S/c1-2-3-4-5-6-7-8-9-14-10(11,12)13/h5-6H,2-4,7-9H2,1H3
InChIKeyOTUYOYJIGHIWEX-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.77
Rot. Bonds7

About 1-(trifluoromethylsulfanyl)non-4-ene

1-(trifluoromethylsulfanyl)non-4-ene (PubChem CID 141487431) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)non-4-ene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)non-4-ene
PubChem CID141487431
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name1-(trifluoromethylsulfanyl)non-4-ene
SMILESCCCCC=CCCCSC(F)(F)F
InChIInChI=1S/C10H17F3S/c1-2-3-4-5-6-7-8-9-14-10(11,12)13/h5-6H,2-4,7-9H2,1H3
InChIKeyOTUYOYJIGHIWEX-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.77
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)non-4-ene?
The IUPAC name of 1-(trifluoromethylsulfanyl)non-4-ene (CID 141487431) is 1-(trifluoromethylsulfanyl)non-4-ene.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)non-4-ene?
The canonical SMILES for 1-(trifluoromethylsulfanyl)non-4-ene is CCCCC=CCCCSC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanyl)non-4-ene?
The InChIKey is OTUYOYJIGHIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3S/c1-2-3-4-5-6-7-8-9-14-10(11,12)13/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)non-4-ene?
1-(trifluoromethylsulfanyl)non-4-ene has a molecular weight of 226.31 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)non-4-ene is sourced from PubChem (CID 141487431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).