3,3-difluorobut-1-ene

C4H6F2 — CID 14123435

IUPAC3,3-difluorobut-1-ene
SMILESC=CC(C)(F)F
InChIInChI=1S/C4H6F2/c1-3-4(2,5)6/h3H,1H2,2H3
InChIKeyDBHFDRQTJRIKGA-UHFFFAOYSA-N
MW92.09 g/mol
LogP1.83
Rot. Bonds1

About 3,3-difluorobut-1-ene

3,3-difluorobut-1-ene (PubChem CID 14123435) has the molecular formula C4H6F2 and a molecular weight of 92.09 g/mol. Its IUPAC name is 3,3-difluorobut-1-ene.

Molecular Properties

Compound Name3,3-difluorobut-1-ene
PubChem CID14123435
Molecular FormulaC4H6F2
Molecular Weight92.09 g/mol
Exact Mass92.04
IUPAC Name3,3-difluorobut-1-ene
SMILESC=CC(C)(F)F
InChIInChI=1S/C4H6F2/c1-3-4(2,5)6/h3H,1H2,2H3
InChIKeyDBHFDRQTJRIKGA-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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Related Compounds

3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
4,4,4-Trifluoro-1-butene
CID 10887850
1,1-Difluorobut-1-ene
CID 2782310
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
3-Fluoro-1-butene
CID 10952622
1,1-Difluoropent-1-ene
CID 13087753
3,3-Difluoro-1,4-pentadiene
CID 13759164
Fluorobutene
CID 53929488
3,3,4,4,5,5-Hexafluoropent-1-ene
CID 54201357
3,3-Difluorohex-1-ene
CID 54512479

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobut-1-ene?
The IUPAC name of 3,3-difluorobut-1-ene (CID 14123435) is 3,3-difluorobut-1-ene.
What is the SMILES notation for 3,3-difluorobut-1-ene?
The canonical SMILES for 3,3-difluorobut-1-ene is C=CC(C)(F)F.
What is the InChIKey of 3,3-difluorobut-1-ene?
The InChIKey is DBHFDRQTJRIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2/c1-3-4(2,5)6/h3H,1H2,2H3.
What are the key properties of 3,3-difluorobut-1-ene?
3,3-difluorobut-1-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 3,3-difluorobut-1-ene is sourced from PubChem (CID 14123435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).