(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene

C11H15F3 — CID 163624463

IUPAC(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C(CC)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h6-7H,2,5H2,1,3-4H3/b10-7+
InChIKeyHQWZLRVWDPXYMJ-JXMROGBWSA-N
MW204.23 g/mol
LogP4.41
Rot. Bonds3

About (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene

(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 163624463) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID163624463
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C(CC)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h6-7H,2,5H2,1,3-4H3/b10-7+
InChIKeyHQWZLRVWDPXYMJ-JXMROGBWSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-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

(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
CID 142032731
(2E,4E)-3-ethylhepta-2,4,6-triene-2,5-diol
CID 142132997
(3E)-5-methylidene-3-(trifluoromethyl)octa-1,3-dien-6-yne
CID 144911780
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(3E)-3-(2-fluoropropan-2-yl)-5,6-dimethylhepta-1,3,5-triene
CID 143048353
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
but-2-yne;(3E)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]oxy-4-(trifluoromethyl)hexa-1,3,5-triene
CID 142206515
(7Z,8E)-7-ethylidene-9-(trifluoromethyl)undeca-8,10-dien-5-ol
CID 143267835
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 142154552

Frequently Asked Questions

What is the IUPAC name of (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene (CID 163624463) is (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(=C\C(CC)=C(C)C)C(F)(F)F.
What is the InChIKey of (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is HQWZLRVWDPXYMJ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H15F3/c1-5-9(8(3)4)7-10(6-2)11(12,13)14/h6-7H,2,5H2,1,3-4H3/b10-7+.
What are the key properties of (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene?
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 204.23 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 163624463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).