1,1-difluorobut-2-ene

C4H6F2 — CID 54450618

IUPAC1,1-difluorobut-2-ene
SMILESCC=CC(F)F
InChIInChI=1S/C4H6F2/c1-2-3-4(5)6/h2-4H,1H3
InChIKeyWPUUAHVUNJYCRY-UHFFFAOYSA-N
MW92.09 g/mol
LogP1.83
Rot. Bonds1

About 1,1-difluorobut-2-ene

1,1-difluorobut-2-ene (PubChem CID 54450618) has the molecular formula C4H6F2 and a molecular weight of 92.09 g/mol. Its IUPAC name is 1,1-difluorobut-2-ene.

Molecular Properties

Compound Name1,1-difluorobut-2-ene
PubChem CID54450618
Molecular FormulaC4H6F2
Molecular Weight92.09 g/mol
Exact Mass92.04
IUPAC Name1,1-difluorobut-2-ene
SMILESCC=CC(F)F
InChIInChI=1S/C4H6F2/c1-2-3-4(5)6/h2-4H,1H3
InChIKeyWPUUAHVUNJYCRY-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 51.83
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 1,1-difluorobut-2-ene?
The IUPAC name of 1,1-difluorobut-2-ene (CID 54450618) is 1,1-difluorobut-2-ene.
What is the SMILES notation for 1,1-difluorobut-2-ene?
The canonical SMILES for 1,1-difluorobut-2-ene is CC=CC(F)F.
What is the InChIKey of 1,1-difluorobut-2-ene?
The InChIKey is WPUUAHVUNJYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2/c1-2-3-4(5)6/h2-4H,1H3.
What are the key properties of 1,1-difluorobut-2-ene?
1,1-difluorobut-2-ene has a molecular weight of 92.09 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobut-2-ene is sourced from PubChem (CID 54450618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).