(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene

C8H10F2 — CID 142858277

IUPAC(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C(F)=C\C(C)=C/F
InChIInChI=1S/C8H10F2/c1-6(2)8(10)4-7(3)5-9/h4-5H,1H2,2-3H3/b7-5-,8-4+
InChIKeyJVCWRAIEFCQRTK-DZAKWUEVSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds2

About (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene

(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene (PubChem CID 142858277) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene
PubChem CID142858277
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene
SMILESC=C(C)/C(F)=C\C(C)=C/F
InChIInChI=1S/C8H10F2/c1-6(2)8(10)4-7(3)5-9/h4-5H,1H2,2-3H3/b7-5-,8-4+
InChIKeyJVCWRAIEFCQRTK-DZAKWUEVSA-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,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene?
The IUPAC name of (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene (CID 142858277) is (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene.
What is the SMILES notation for (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene?
The canonical SMILES for (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene is C=C(C)/C(F)=C\C(C)=C/F.
What is the InChIKey of (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene?
The InChIKey is JVCWRAIEFCQRTK-DZAKWUEVSA-N. The full InChI is InChI=1S/C8H10F2/c1-6(2)8(10)4-7(3)5-9/h4-5H,1H2,2-3H3/b7-5-,8-4+.
What are the key properties of (1Z,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene?
(1Z,3E)-1,4-difluoro-2,5-dimethylhexa-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,3E)-1,4-difluoro-2,5-dimethylhexa-1,3,5-triene is sourced from PubChem (CID 142858277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).