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

C8H8ClF3 — CID 89174486

IUPAC(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3/c1-3-7(8(10,11)12)5-4-6(2)9/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyULWARLKFDZCPKK-YDFGWWAZSA-N
MW196.60 g/mol
LogP3.80
Rot. Bonds2

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

(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 89174486) has the molecular formula C8H8ClF3 and a molecular weight of 196.60 g/mol. Its IUPAC name is (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID89174486
Molecular FormulaC8H8ClF3
Molecular Weight196.60 g/mol
Exact Mass196.03
IUPAC Name(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3/c1-3-7(8(10,11)12)5-4-6(2)9/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyULWARLKFDZCPKK-YDFGWWAZSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene (CID 89174486) is (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(=C\C=C(/C)Cl)C(F)(F)F.
What is the InChIKey of (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is ULWARLKFDZCPKK-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H8ClF3/c1-3-7(8(10,11)12)5-4-6(2)9/h3-5H,1H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene?
(3E,5E)-6-chloro-3-(trifluoromethyl)hepta-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 (3E,5E)-6-chloro-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 89174486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).