(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene

C9H10ClF3 — CID 155416717

IUPAC(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C=C(Cl)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-3-5-7(9(11,12)13)8(10)6-4-2/h4-6H,2-3H2,1H3/b7-5+,8-6+
InChIKeyTZIOASAEVVNXPW-KQQUZDAGSA-N
MW210.63 g/mol
LogP4.19
Rot. Bonds3

About (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene

(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene (PubChem CID 155416717) has the molecular formula C9H10ClF3 and a molecular weight of 210.63 g/mol. Its IUPAC name is (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene
PubChem CID155416717
Molecular FormulaC9H10ClF3
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C=C(Cl)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-3-5-7(9(11,12)13)8(10)6-4-2/h4-6H,2-3H2,1H3/b7-5+,8-6+
InChIKeyTZIOASAEVVNXPW-KQQUZDAGSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 54.19
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 (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene (CID 155416717) is (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene is C=C/C=C(Cl)\C(=C/CC)C(F)(F)F.
What is the InChIKey of (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene?
The InChIKey is TZIOASAEVVNXPW-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H10ClF3/c1-3-5-7(9(11,12)13)8(10)6-4-2/h4-6H,2-3H2,1H3/b7-5+,8-6+.
What are the key properties of (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene?
(3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene has a molecular weight of 210.63 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-chloro-5-(trifluoromethyl)octa-1,3,5-triene is sourced from PubChem (CID 155416717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).