(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene

C10H17F3S — CID 158688767

IUPAC(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene
SMILESCCC/C(=C/CCSC(F)(F)F)CC
InChIInChI=1S/C10H17F3S/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h7H,3-6,8H2,1-2H3/b9-7+
InChIKeyIGBOYGBKSAXTBC-VQHVLOKHSA-N
MW226.31 g/mol
LogP4.77
Rot. Bonds6

About (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene

(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene (PubChem CID 158688767) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene.

Molecular Properties

Compound Name(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene
PubChem CID158688767
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene
SMILESCCC/C(=C/CCSC(F)(F)F)CC
InChIInChI=1S/C10H17F3S/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h7H,3-6,8H2,1-2H3/b9-7+
InChIKeyIGBOYGBKSAXTBC-VQHVLOKHSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene?
The IUPAC name of (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene (CID 158688767) is (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene.
What is the SMILES notation for (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene?
The canonical SMILES for (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene is CCC/C(=C/CCSC(F)(F)F)CC.
What is the InChIKey of (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene?
The InChIKey is IGBOYGBKSAXTBC-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17F3S/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h7H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene?
(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene has a molecular weight of 226.31 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene is sourced from PubChem (CID 158688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).