2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene

C10H17F3S — CID 162565819

IUPAC2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
SMILESC=C(C)CC(C(C)CSC)C(F)(F)F
InChIInChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGLHVDYGPDBOVLY-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.13
Rot. Bonds5

About 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene

2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene (PubChem CID 162565819) has the molecular formula C10H17F3S and a molecular weight of 226.31 g/mol. Its IUPAC name is 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
PubChem CID162565819
Molecular FormulaC10H17F3S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
SMILESC=C(C)CC(C(C)CSC)C(F)(F)F
InChIInChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3
InChIKeyGLHVDYGPDBOVLY-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The IUPAC name of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene (CID 162565819) is 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene is C=C(C)CC(C(C)CSC)C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
The InChIKey is GLHVDYGPDBOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3S/c1-7(2)5-9(10(11,12)13)8(3)6-14-4/h8-9H,1,5-6H2,2-4H3.
What are the key properties of 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene?
2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene has a molecular weight of 226.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 162565819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).