3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene

C4H2Cl2F4 — CID 87213476

IUPAC3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene
SMILESC=C(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl2F4/c1-2(7)3(5,8)4(6,9)10/h1H2
InChIKeyPAOQPNKBODOBGS-UHFFFAOYSA-N
MW196.96 g/mol
LogP3.21
Rot. Bonds2

About 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene

3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene (PubChem CID 87213476) has the molecular formula C4H2Cl2F4 and a molecular weight of 196.96 g/mol. Its IUPAC name is 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene
PubChem CID87213476
Molecular FormulaC4H2Cl2F4
Molecular Weight196.96 g/mol
Exact Mass195.95
IUPAC Name3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene
SMILESC=C(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4H2Cl2F4/c1-2(7)3(5,8)4(6,9)10/h1H2
InChIKeyPAOQPNKBODOBGS-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.96
LogP ≤ 53.21
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 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene?
The IUPAC name of 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene (CID 87213476) is 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene is C=C(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene?
The InChIKey is PAOQPNKBODOBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F4/c1-2(7)3(5,8)4(6,9)10/h1H2.
What are the key properties of 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene?
3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene has a molecular weight of 196.96 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,3,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 87213476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).