1,2-difluoro-3-methylbut-2-ene

C5H8F2 — CID 54475130

IUPAC1,2-difluoro-3-methylbut-2-ene
SMILESCC(C)=C(F)CF
InChIInChI=1S/C5H8F2/c1-4(2)5(7)3-6/h3H2,1-2H3
InChIKeyXLADBQXUXGRIKK-UHFFFAOYSA-N
MW106.11 g/mol
LogP2.22
Rot. Bonds1

About 1,2-difluoro-3-methylbut-2-ene

1,2-difluoro-3-methylbut-2-ene (PubChem CID 54475130) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 1,2-difluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name1,2-difluoro-3-methylbut-2-ene
PubChem CID54475130
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name1,2-difluoro-3-methylbut-2-ene
SMILESCC(C)=C(F)CF
InChIInChI=1S/C5H8F2/c1-4(2)5(7)3-6/h3H2,1-2H3
InChIKeyXLADBQXUXGRIKK-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-difluoro-3-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methylbut-2-ene?
The IUPAC name of 1,2-difluoro-3-methylbut-2-ene (CID 54475130) is 1,2-difluoro-3-methylbut-2-ene.
What is the SMILES notation for 1,2-difluoro-3-methylbut-2-ene?
The canonical SMILES for 1,2-difluoro-3-methylbut-2-ene is CC(C)=C(F)CF.
What is the InChIKey of 1,2-difluoro-3-methylbut-2-ene?
The InChIKey is XLADBQXUXGRIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-4(2)5(7)3-6/h3H2,1-2H3.
What are the key properties of 1,2-difluoro-3-methylbut-2-ene?
1,2-difluoro-3-methylbut-2-ene has a molecular weight of 106.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methylbut-2-ene is sourced from PubChem (CID 54475130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).