(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene

C8H8ClF3 — CID 155687692

IUPAC(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C/C(=C(/Cl)C(=C)C)C(F)(F)F
InChIInChI=1S/C8H8ClF3/c1-4-6(8(10,11)12)7(9)5(2)3/h4H,1-2H2,3H3/b7-6-
InChIKeyLLGKCUXMDBTGKQ-SREVYHEPSA-N
MW196.60 g/mol
LogP3.80
Rot. Bonds2

About (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene

(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 155687692) has the molecular formula C8H8ClF3 and a molecular weight of 196.60 g/mol. Its IUPAC name is (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene
PubChem CID155687692
Molecular FormulaC8H8ClF3
Molecular Weight196.60 g/mol
Exact Mass196.03
IUPAC Name(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=C/C(=C(/Cl)C(=C)C)C(F)(F)F
InChIInChI=1S/C8H8ClF3/c1-4-6(8(10,11)12)7(9)5(2)3/h4H,1-2H2,3H3/b7-6-
InChIKeyLLGKCUXMDBTGKQ-SREVYHEPSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene (CID 155687692) is (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene is C=C/C(=C(/Cl)C(=C)C)C(F)(F)F.
What is the InChIKey of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is LLGKCUXMDBTGKQ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H8ClF3/c1-4-6(8(10,11)12)7(9)5(2)3/h4H,1-2H2,3H3/b7-6-.
What are the key properties of (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene?
(3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene has a molecular weight of 196.60 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-2-methyl-4-(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 155687692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).