(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene

C10H13F3 — CID 88936452

IUPAC(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7(2)8(3)5-6-9(4)10(11,12)13/h5-6H,4H2,1-3H3/b6-5-
InChIKeySXPAQSNZKQWJNF-WAYWQWQTSA-N
MW190.21 g/mol
LogP4.02
Rot. Bonds2

About (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene

(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 88936452) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID88936452
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(/C=C\C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7(2)8(3)5-6-9(4)10(11,12)13/h5-6H,4H2,1-3H3/b6-5-
InChIKeySXPAQSNZKQWJNF-WAYWQWQTSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene (CID 88936452) is (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene is C=C(/C=C\C(C)=C(C)C)C(F)(F)F.
What is the InChIKey of (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is SXPAQSNZKQWJNF-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13F3/c1-7(2)8(3)5-6-9(4)10(11,12)13/h5-6H,4H2,1-3H3/b6-5-.
What are the key properties of (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene?
(3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 190.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,6-dimethyl-2-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 88936452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).