(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene

C8H9Cl2F — CID 135192472

IUPAC(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C(Cl)=C(\C)CF
InChIInChI=1S/C8H9Cl2F/c1-6(5-11)8(10)4-3-7(2)9/h3-4H,2,5H2,1H3/b4-3-,8-6+
InChIKeyHLMPGYNBERNXHA-OONGGIDMSA-N
MW195.06 g/mol
LogP3.78
Rot. Bonds3

About (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene

(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene (PubChem CID 135192472) has the molecular formula C8H9Cl2F and a molecular weight of 195.06 g/mol. Its IUPAC name is (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene
PubChem CID135192472
Molecular FormulaC8H9Cl2F
Molecular Weight195.06 g/mol
Exact Mass194.01
IUPAC Name(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene
SMILESC=C(Cl)/C=C\C(Cl)=C(\C)CF
InChIInChI=1S/C8H9Cl2F/c1-6(5-11)8(10)4-3-7(2)9/h3-4H,2,5H2,1H3/b4-3-,8-6+
InChIKeyHLMPGYNBERNXHA-OONGGIDMSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 53.78
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 (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene (CID 135192472) is (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene is C=C(Cl)/C=C\C(Cl)=C(\C)CF.
What is the InChIKey of (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene?
The InChIKey is HLMPGYNBERNXHA-OONGGIDMSA-N. The full InChI is InChI=1S/C8H9Cl2F/c1-6(5-11)8(10)4-3-7(2)9/h3-4H,2,5H2,1H3/b4-3-,8-6+.
What are the key properties of (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene?
(3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene has a molecular weight of 195.06 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,5-dichloro-7-fluoro-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 135192472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).