(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene

C10H13F3 — CID 143576225

IUPAC(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C(=C\C=C\C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-9(10(11,12)13)7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5+,9-7+
InChIKeyPYTXCJZMHFGMQQ-SBIWHPGTSA-N
MW190.21 g/mol
LogP3.87
Rot. Bonds3

About (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene

(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene (PubChem CID 143576225) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
PubChem CID143576225
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C(=C\C=C\C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-9(10(11,12)13)7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5+,9-7+
InChIKeyPYTXCJZMHFGMQQ-SBIWHPGTSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 142154552
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(3Z,5Z)-7-methyl-2-(trifluoromethyl)octa-1,3,5-triene
CID 143179435
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
CID 58515107
ethane;2-[(3E,5Z)-3-ethenyl-2,7-dimethylocta-3,5-dien-2-yl]-1,4-dimethoxybenzene
CID 143292323
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene?
The IUPAC name of (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene (CID 143576225) is (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene.
What is the SMILES notation for (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene?
The canonical SMILES for (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene is C=C/C(=C\C=C\C(C)C)C(F)(F)F.
What is the InChIKey of (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene?
The InChIKey is PYTXCJZMHFGMQQ-SBIWHPGTSA-N. The full InChI is InChI=1S/C10H13F3/c1-4-9(10(11,12)13)7-5-6-8(2)3/h4-8H,1H2,2-3H3/b6-5+,9-7+.
What are the key properties of (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene?
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene has a molecular weight of 190.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene is sourced from PubChem (CID 143576225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).