(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene

C7H8ClF — CID 89143199

IUPAC(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene
SMILESC=C/C(C)=C\C(F)=C\Cl
InChIInChI=1S/C7H8ClF/c1-3-6(2)4-7(9)5-8/h3-5H,1H2,2H3/b6-4-,7-5-
InChIKeyISGLAUOCHSMFBE-PEPZGXQESA-N
MW146.59 g/mol
LogP3.17
Rot. Bonds2

About (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene

(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene (PubChem CID 89143199) has the molecular formula C7H8ClF and a molecular weight of 146.59 g/mol. Its IUPAC name is (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene
PubChem CID89143199
Molecular FormulaC7H8ClF
Molecular Weight146.59 g/mol
Exact Mass146.03
IUPAC Name(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene
SMILESC=C/C(C)=C\C(F)=C\Cl
InChIInChI=1S/C7H8ClF/c1-3-6(2)4-7(9)5-8/h3-5H,1H2,2H3/b6-4-,7-5-
InChIKeyISGLAUOCHSMFBE-PEPZGXQESA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.59
LogP ≤ 53.17
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 (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene?
The IUPAC name of (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene (CID 89143199) is (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene.
What is the SMILES notation for (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene?
The canonical SMILES for (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene is C=C/C(C)=C\C(F)=C\Cl.
What is the InChIKey of (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene?
The InChIKey is ISGLAUOCHSMFBE-PEPZGXQESA-N. The full InChI is InChI=1S/C7H8ClF/c1-3-6(2)4-7(9)5-8/h3-5H,1H2,2H3/b6-4-,7-5-.
What are the key properties of (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene?
(1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene has a molecular weight of 146.59 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-chloro-2-fluoro-4-methylhexa-1,3,5-triene is sourced from PubChem (CID 89143199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).