(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene

C8H10F2 — CID 89227259

IUPAC(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene
SMILESC/C=C/C=C(C)\C(F)=C\F
InChIInChI=1S/C8H10F2/c1-3-4-5-7(2)8(10)6-9/h3-6H,1-2H3/b4-3+,7-5-,8-6-
InChIKeyXMEAOMLQBMGWCX-DVLZSMJMSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds2

About (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene

(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene (PubChem CID 89227259) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene
PubChem CID89227259
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene
SMILESC/C=C/C=C(C)\C(F)=C\F
InChIInChI=1S/C8H10F2/c1-3-4-5-7(2)8(10)6-9/h3-6H,1-2H3/b4-3+,7-5-,8-6-
InChIKeyXMEAOMLQBMGWCX-DVLZSMJMSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 53.29
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,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene (CID 89227259) is (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene is C/C=C/C=C(C)\C(F)=C\F.
What is the InChIKey of (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene?
The InChIKey is XMEAOMLQBMGWCX-DVLZSMJMSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-4-5-7(2)8(10)6-9/h3-6H,1-2H3/b4-3+,7-5-,8-6-.
What are the key properties of (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene?
(1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene has a molecular weight of 144.16 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-1,2-difluoro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89227259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).