(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene

C10H14ClFS — CID 134389863

IUPAC(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene
SMILESC=CC(C)C=C/C(Cl)=C(/F)CSC
InChIInChI=1S/C10H14ClFS/c1-4-8(2)5-6-9(11)10(12)7-13-3/h4-6,8H,1,7H2,2-3H3/b6-5?,10-9-
InChIKeyJZJAXDJKONGPPD-ZVNONTQMSA-N
MW220.74 g/mol
LogP4.15
Rot. Bonds5

About (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene

(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene (PubChem CID 134389863) has the molecular formula C10H14ClFS and a molecular weight of 220.74 g/mol. Its IUPAC name is (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene.

Molecular Properties

Compound Name(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene
PubChem CID134389863
Molecular FormulaC10H14ClFS
Molecular Weight220.74 g/mol
Exact Mass220.05
IUPAC Name(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene
SMILESC=CC(C)C=C/C(Cl)=C(/F)CSC
InChIInChI=1S/C10H14ClFS/c1-4-8(2)5-6-9(11)10(12)7-13-3/h4-6,8H,1,7H2,2-3H3/b6-5?,10-9-
InChIKeyJZJAXDJKONGPPD-ZVNONTQMSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene?
The IUPAC name of (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene (CID 134389863) is (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene.
What is the SMILES notation for (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene?
The canonical SMILES for (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene is C=CC(C)C=C/C(Cl)=C(/F)CSC.
What is the InChIKey of (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene?
The InChIKey is JZJAXDJKONGPPD-ZVNONTQMSA-N. The full InChI is InChI=1S/C10H14ClFS/c1-4-8(2)5-6-9(11)10(12)7-13-3/h4-6,8H,1,7H2,2-3H3/b6-5?,10-9-.
What are the key properties of (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene?
(6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene has a molecular weight of 220.74 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-chloro-7-fluoro-3-methyl-8-methylsulfanylocta-1,4,6-triene is sourced from PubChem (CID 134389863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).