(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene

C5H4F4 — CID 19781230

IUPAC(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene
SMILESC/C(=C/F)C(F)=C(F)F
InChIInChI=1S/C5H4F4/c1-3(2-6)4(7)5(8)9/h2H,1H3/b3-2-
InChIKeyHUTPWKRXWPAIHG-IHWYPQMZSA-N
MW140.08 g/mol
LogP2.94
Rot. Bonds1

About (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene

(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene (PubChem CID 19781230) has the molecular formula C5H4F4 and a molecular weight of 140.08 g/mol. Its IUPAC name is (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene
PubChem CID19781230
Molecular FormulaC5H4F4
Molecular Weight140.08 g/mol
Exact Mass140.02
IUPAC Name(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene
SMILESC/C(=C/F)C(F)=C(F)F
InChIInChI=1S/C5H4F4/c1-3(2-6)4(7)5(8)9/h2H,1H3/b3-2-
InChIKeyHUTPWKRXWPAIHG-IHWYPQMZSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 52.94
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)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene?
The IUPAC name of (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene (CID 19781230) is (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene?
The canonical SMILES for (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene is C/C(=C/F)C(F)=C(F)F.
What is the InChIKey of (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene?
The InChIKey is HUTPWKRXWPAIHG-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H4F4/c1-3(2-6)4(7)5(8)9/h2H,1H3/b3-2-.
What are the key properties of (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene?
(3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene has a molecular weight of 140.08 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,2,4-tetrafluoro-3-methylbuta-1,3-diene is sourced from PubChem (CID 19781230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).