4-chloro-3-fluorobut-1-ene

C4H6ClF — CID 13147000

IUPAC4-chloro-3-fluorobut-1-ene
SMILESC=CC(F)CCl
InChIInChI=1S/C4H6ClF/c1-2-4(6)3-5/h2,4H,1,3H2
InChIKeyDMOWUCLLXTXPIV-UHFFFAOYSA-N
MW108.54 g/mol
LogP1.75
Rot. Bonds2

About 4-chloro-3-fluorobut-1-ene

4-chloro-3-fluorobut-1-ene (PubChem CID 13147000) has the molecular formula C4H6ClF and a molecular weight of 108.54 g/mol. Its IUPAC name is 4-chloro-3-fluorobut-1-ene.

Molecular Properties

Compound Name4-chloro-3-fluorobut-1-ene
PubChem CID13147000
Molecular FormulaC4H6ClF
Molecular Weight108.54 g/mol
Exact Mass108.01
IUPAC Name4-chloro-3-fluorobut-1-ene
SMILESC=CC(F)CCl
InChIInChI=1S/C4H6ClF/c1-2-4(6)3-5/h2,4H,1,3H2
InChIKeyDMOWUCLLXTXPIV-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.54
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorobut-1-ene?
The IUPAC name of 4-chloro-3-fluorobut-1-ene (CID 13147000) is 4-chloro-3-fluorobut-1-ene.
What is the SMILES notation for 4-chloro-3-fluorobut-1-ene?
The canonical SMILES for 4-chloro-3-fluorobut-1-ene is C=CC(F)CCl.
What is the InChIKey of 4-chloro-3-fluorobut-1-ene?
The InChIKey is DMOWUCLLXTXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF/c1-2-4(6)3-5/h2,4H,1,3H2.
What are the key properties of 4-chloro-3-fluorobut-1-ene?
4-chloro-3-fluorobut-1-ene has a molecular weight of 108.54 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluorobut-1-ene is sourced from PubChem (CID 13147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).