2-chloro-3,3,4,4,4-pentafluorobut-1-ene

C4H2ClF5 — CID 87213415

IUPAC2-chloro-3,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2ClF5/c1-2(5)3(6,7)4(8,9)10/h1H2
InChIKeyKMPISQLBGDJJDR-UHFFFAOYSA-N
MW180.50 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-3,3,4,4,4-pentafluorobut-1-ene

2-chloro-3,3,4,4,4-pentafluorobut-1-ene (PubChem CID 87213415) has the molecular formula C4H2ClF5 and a molecular weight of 180.50 g/mol. Its IUPAC name is 2-chloro-3,3,4,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name2-chloro-3,3,4,4,4-pentafluorobut-1-ene
PubChem CID87213415
Molecular FormulaC4H2ClF5
Molecular Weight180.50 g/mol
Exact Mass179.98
IUPAC Name2-chloro-3,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2ClF5/c1-2(5)3(6,7)4(8,9)10/h1H2
InChIKeyKMPISQLBGDJJDR-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.50
LogP ≤ 52.94
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-chloro-3,3,4,4,4-pentafluorobut-1-ene?
The IUPAC name of 2-chloro-3,3,4,4,4-pentafluorobut-1-ene (CID 87213415) is 2-chloro-3,3,4,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 2-chloro-3,3,4,4,4-pentafluorobut-1-ene?
The canonical SMILES for 2-chloro-3,3,4,4,4-pentafluorobut-1-ene is C=C(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,4,4,4-pentafluorobut-1-ene?
The InChIKey is KMPISQLBGDJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF5/c1-2(5)3(6,7)4(8,9)10/h1H2.
What are the key properties of 2-chloro-3,3,4,4,4-pentafluorobut-1-ene?
2-chloro-3,3,4,4,4-pentafluorobut-1-ene has a molecular weight of 180.50 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,4,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 87213415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).