(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene

C10H13F3S — CID 163393782

IUPAC(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)C)SC(F)(F)F
InChIInChI=1S/C10H13F3S/c1-7(2)8(3)5-6-9(4)14-10(11,12)13/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyDOFZFKAUVSVZFO-WAYWQWQTSA-N
MW222.27 g/mol
LogP4.52
Rot. Bonds4

About (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene

(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene (PubChem CID 163393782) has the molecular formula C10H13F3S and a molecular weight of 222.27 g/mol. Its IUPAC name is (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
PubChem CID163393782
Molecular FormulaC10H13F3S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)C)SC(F)(F)F
InChIInChI=1S/C10H13F3S/c1-7(2)8(3)5-6-9(4)14-10(11,12)13/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyDOFZFKAUVSVZFO-WAYWQWQTSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-yl-5-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 69090788
5-Methyl-2-(trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 88986577
(3Z,5E)-3-propan-2-yl-5-(trifluoromethyl)hepta-1,3,5-triene
CID 89177432
(3Z,5R)-5-methyl-2-(trifluoromethyl)octa-1,3,7-triene
CID 89355413
1,1,1-Trifluoro-2,6-dimethylocta-2,4-diene
CID 91360400
(3Z,5Z)-5-propan-2-yl-2-(trifluoromethyl)hepta-1,3,5-triene
CID 117847918
(2E,4Z)-7-methyl-6-methylidene-3-(trifluoromethyl)octa-2,4-diene
CID 117848050
(3Z,5E)-7,7,7-trifluoro-6-methyl-3-propan-2-ylhepta-1,3,5-triene
CID 117905807
7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
5-Methyl-2-(trifluoromethyl)hepta-1,3-diene
CID 123470382
5-Methyl-3-(trifluoromethyl)hepta-1,3-diene
CID 123507764

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene?
The IUPAC name of (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene (CID 163393782) is (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene.
What is the SMILES notation for (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene?
The canonical SMILES for (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene is C=C(/C=C\C(=C)C(C)C)SC(F)(F)F.
What is the InChIKey of (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene?
The InChIKey is DOFZFKAUVSVZFO-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13F3S/c1-7(2)8(3)5-6-9(4)14-10(11,12)13/h5-7H,3-4H2,1-2H3/b6-5-.
What are the key properties of (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene?
(3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene has a molecular weight of 222.27 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-methylidene-2-(trifluoromethylsulfanyl)hepta-1,3-diene is sourced from PubChem (CID 163393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).