2-(trifluoromethylsulfanyl)oct-1-ene

C9H15F3S — CID 162411758

IUPAC2-(trifluoromethylsulfanyl)oct-1-ene
SMILESC=C(CCCCCC)SC(F)(F)F
InChIInChI=1S/C9H15F3S/c1-3-4-5-6-7-8(2)13-9(10,11)12/h2-7H2,1H3
InChIKeyLMVVAIRAGQZRNV-UHFFFAOYSA-N
MW212.28 g/mol
LogP4.72
Rot. Bonds6

About 2-(trifluoromethylsulfanyl)oct-1-ene

2-(trifluoromethylsulfanyl)oct-1-ene (PubChem CID 162411758) has the molecular formula C9H15F3S and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)oct-1-ene.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)oct-1-ene
PubChem CID162411758
Molecular FormulaC9H15F3S
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Name2-(trifluoromethylsulfanyl)oct-1-ene
SMILESC=C(CCCCCC)SC(F)(F)F
InChIInChI=1S/C9H15F3S/c1-3-4-5-6-7-8(2)13-9(10,11)12/h2-7H2,1H3
InChIKeyLMVVAIRAGQZRNV-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
octadecane-9,10-dithione
CID 118647989
6-methylidenetetradecane
CID 21477883
4,4-difluoro-2,2-dimethyl-5-methylidenetridecan-3-ol
CID 132603530
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375
heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
2,2,2-trifluoroacetic acid;undecanoic acid
CID 159402462
tetradecanoic acid;2,2,2-trifluoroacetic acid
CID 88756721
8-ethyl-8-fluoro-2-methyltetradec-1-ene
CID 174259517
O-octadecyl trifluoromethylsulfanylmethanethioate
CID 102114582

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)oct-1-ene?
The IUPAC name of 2-(trifluoromethylsulfanyl)oct-1-ene (CID 162411758) is 2-(trifluoromethylsulfanyl)oct-1-ene.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)oct-1-ene?
The canonical SMILES for 2-(trifluoromethylsulfanyl)oct-1-ene is C=C(CCCCCC)SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)oct-1-ene?
The InChIKey is LMVVAIRAGQZRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3S/c1-3-4-5-6-7-8(2)13-9(10,11)12/h2-7H2,1H3.
What are the key properties of 2-(trifluoromethylsulfanyl)oct-1-ene?
2-(trifluoromethylsulfanyl)oct-1-ene has a molecular weight of 212.28 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)oct-1-ene is sourced from PubChem (CID 162411758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).