1,1-difluorobuta-1,3-diene

C4H4F2 — CID 11506444

IUPAC1,1-difluorobuta-1,3-diene
SMILESC=CC=C(F)F
InChIInChI=1S/C4H4F2/c1-2-3-4(5)6/h2-3H,1H2
InChIKeyXWOKUHDOBJAMAL-UHFFFAOYSA-N
MW90.07 g/mol
LogP1.95
Rot. Bonds1

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

1,1-difluorobuta-1,3-diene (PubChem CID 11506444) has the molecular formula C4H4F2 and a molecular weight of 90.07 g/mol. Its IUPAC name is 1,1-difluorobuta-1,3-diene.

Molecular Properties

Compound Name1,1-difluorobuta-1,3-diene
PubChem CID11506444
Molecular FormulaC4H4F2
Molecular Weight90.07 g/mol
Exact Mass90.03
IUPAC Name1,1-difluorobuta-1,3-diene
SMILESC=CC=C(F)F
InChIInChI=1S/C4H4F2/c1-2-3-4(5)6/h2-3H,1H2
InChIKeyXWOKUHDOBJAMAL-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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobuta-1,3-diene?
The IUPAC name of 1,1-difluorobuta-1,3-diene (CID 11506444) is 1,1-difluorobuta-1,3-diene.
What is the SMILES notation for 1,1-difluorobuta-1,3-diene?
The canonical SMILES for 1,1-difluorobuta-1,3-diene is C=CC=C(F)F.
What is the InChIKey of 1,1-difluorobuta-1,3-diene?
The InChIKey is XWOKUHDOBJAMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2/c1-2-3-4(5)6/h2-3H,1H2.
What are the key properties of 1,1-difluorobuta-1,3-diene?
1,1-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 1,1-difluorobuta-1,3-diene is sourced from PubChem (CID 11506444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).