1,4-difluorobuta-1,3-diene

C4H4F2 — CID 71359695

IUPAC1,4-difluorobuta-1,3-diene
SMILESFC=CC=CF
InChIInChI=1S/C4H4F2/c5-3-1-2-4-6/h1-4H
InChIKeyRXJPYUWYMSTJKF-UHFFFAOYSA-N
MW90.07 g/mol
LogP1.95
Rot. Bonds1

About 1,4-difluorobuta-1,3-diene

1,4-difluorobuta-1,3-diene (PubChem CID 71359695) has the molecular formula C4H4F2 and a molecular weight of 90.07 g/mol. Its IUPAC name is 1,4-difluorobuta-1,3-diene.

Molecular Properties

Compound Name1,4-difluorobuta-1,3-diene
PubChem CID71359695
Molecular FormulaC4H4F2
Molecular Weight90.07 g/mol
Exact Mass90.03
IUPAC Name1,4-difluorobuta-1,3-diene
SMILESFC=CC=CF
InChIInChI=1S/C4H4F2/c5-3-1-2-4-6/h1-4H
InChIKeyRXJPYUWYMSTJKF-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.07
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Fluorobuta-1,3-diene
CID 551655
2-Butene, 1,4-difluoro-
CID 6433179
1,1-Difluoro-1,3-butadiene
CID 11506444
1-Fluoro-1,3-butadiene
CID 53915310
Fluorobutadiene
CID 11378441
5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
trans,trans-1,4-Difluorobutadiene
CID 22465951
cis,cis-1,4-Difluoro-1,3-butadiene
CID 92017310
(e,z)-1,4-Difluoro-1,3-butadiene
CID 100998743
(E)-1,4-difluorobut-2-ene
CID 9847
(3E)-1,1,4-trifluorobuta-1,3-diene
CID 18927928
cis-1,4-Difluoro-2-butene
CID 13356673

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobuta-1,3-diene?
The IUPAC name of 1,4-difluorobuta-1,3-diene (CID 71359695) is 1,4-difluorobuta-1,3-diene.
What is the SMILES notation for 1,4-difluorobuta-1,3-diene?
The canonical SMILES for 1,4-difluorobuta-1,3-diene is FC=CC=CF.
What is the InChIKey of 1,4-difluorobuta-1,3-diene?
The InChIKey is RXJPYUWYMSTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2/c5-3-1-2-4-6/h1-4H.
What are the key properties of 1,4-difluorobuta-1,3-diene?
1,4-difluorobuta-1,3-diene has a molecular weight of 90.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobuta-1,3-diene is sourced from PubChem (CID 71359695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).