2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene

C5H3Cl2F5 — CID 163994152

IUPAC2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene
SMILESCC(Cl)=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3Cl2F5/c1-2(6)3(7)4(8,9)5(10,11)12/h1H3
InChIKeyUELOGUBGUJHGPJ-UHFFFAOYSA-N
MW228.97 g/mol
LogP3.89
Rot. Bonds1

About 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene

2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene (PubChem CID 163994152) has the molecular formula C5H3Cl2F5 and a molecular weight of 228.97 g/mol. Its IUPAC name is 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene.

Molecular Properties

Compound Name2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene
PubChem CID163994152
Molecular FormulaC5H3Cl2F5
Molecular Weight228.97 g/mol
Exact Mass227.95
IUPAC Name2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene
SMILESCC(Cl)=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3Cl2F5/c1-2(6)3(7)4(8,9)5(10,11)12/h1H3
InChIKeyUELOGUBGUJHGPJ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.97
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene?
The IUPAC name of 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene (CID 163994152) is 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene.
What is the SMILES notation for 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene?
The canonical SMILES for 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene is CC(Cl)=C(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene?
The InChIKey is UELOGUBGUJHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F5/c1-2(6)3(7)4(8,9)5(10,11)12/h1H3.
What are the key properties of 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene?
2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene has a molecular weight of 228.97 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4,4,5,5,5-pentafluoropent-2-ene is sourced from PubChem (CID 163994152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).