(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene

C8H12F2 — CID 12584524

IUPAC(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene
SMILESC=C(C)C(C)(C)/C(F)=C/F
InChIInChI=1S/C8H12F2/c1-6(2)8(3,4)7(10)5-9/h5H,1H2,2-4H3/b7-5-
InChIKeyHVHNLBZLMAUTTL-ALCCZGGFSA-N
MW146.18 g/mol
LogP3.37
Rot. Bonds2

About (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene

(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene (PubChem CID 12584524) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene.

Molecular Properties

Compound Name(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene
PubChem CID12584524
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene
SMILESC=C(C)C(C)(C)/C(F)=C/F
InChIInChI=1S/C8H12F2/c1-6(2)8(3,4)7(10)5-9/h5H,1H2,2-4H3/b7-5-
InChIKeyHVHNLBZLMAUTTL-ALCCZGGFSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene?
The IUPAC name of (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene (CID 12584524) is (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene.
What is the SMILES notation for (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene?
The canonical SMILES for (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene is C=C(C)C(C)(C)/C(F)=C/F.
What is the InChIKey of (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene?
The InChIKey is HVHNLBZLMAUTTL-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12F2/c1-6(2)8(3,4)7(10)5-9/h5H,1H2,2-4H3/b7-5-.
What are the key properties of (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene?
(1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene has a molecular weight of 146.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2-difluoro-3,3,4-trimethylpenta-1,4-diene is sourced from PubChem (CID 12584524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).