1,1-dichloro-1,3-difluorobut-2-ene

C4H4Cl2F2 — CID 54481104

IUPAC1,1-dichloro-1,3-difluorobut-2-ene
SMILESCC(F)=CC(F)(Cl)Cl
InChIInChI=1S/C4H4Cl2F2/c1-3(7)2-4(5,6)8/h2H,1H3
InChIKeyXPAUQCAVYXOWFR-UHFFFAOYSA-N
MW160.98 g/mol
LogP2.96
Rot. Bonds1

About 1,1-dichloro-1,3-difluorobut-2-ene

1,1-dichloro-1,3-difluorobut-2-ene (PubChem CID 54481104) has the molecular formula C4H4Cl2F2 and a molecular weight of 160.98 g/mol. Its IUPAC name is 1,1-dichloro-1,3-difluorobut-2-ene.

Molecular Properties

Compound Name1,1-dichloro-1,3-difluorobut-2-ene
PubChem CID54481104
Molecular FormulaC4H4Cl2F2
Molecular Weight160.98 g/mol
Exact Mass159.97
IUPAC Name1,1-dichloro-1,3-difluorobut-2-ene
SMILESCC(F)=CC(F)(Cl)Cl
InChIInChI=1S/C4H4Cl2F2/c1-3(7)2-4(5,6)8/h2H,1H3
InChIKeyXPAUQCAVYXOWFR-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.98
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,3-difluorobut-2-ene?
The IUPAC name of 1,1-dichloro-1,3-difluorobut-2-ene (CID 54481104) is 1,1-dichloro-1,3-difluorobut-2-ene.
What is the SMILES notation for 1,1-dichloro-1,3-difluorobut-2-ene?
The canonical SMILES for 1,1-dichloro-1,3-difluorobut-2-ene is CC(F)=CC(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,3-difluorobut-2-ene?
The InChIKey is XPAUQCAVYXOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2F2/c1-3(7)2-4(5,6)8/h2H,1H3.
What are the key properties of 1,1-dichloro-1,3-difluorobut-2-ene?
1,1-dichloro-1,3-difluorobut-2-ene has a molecular weight of 160.98 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,3-difluorobut-2-ene is sourced from PubChem (CID 54481104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).