2-chloro-3,4,4,5,5-pentafluoropent-1-ene

C5H4ClF5 — CID 87403789

IUPAC2-chloro-3,4,4,5,5-pentafluoropent-1-ene
SMILESC=C(Cl)C(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4ClF5/c1-2(6)3(7)5(10,11)4(8)9/h3-4H,1H2
InChIKeyKWXGXDVHQPMYQJ-UHFFFAOYSA-N
MW194.53 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-3,4,4,5,5-pentafluoropent-1-ene

2-chloro-3,4,4,5,5-pentafluoropent-1-ene (PubChem CID 87403789) has the molecular formula C5H4ClF5 and a molecular weight of 194.53 g/mol. Its IUPAC name is 2-chloro-3,4,4,5,5-pentafluoropent-1-ene.

Molecular Properties

Compound Name2-chloro-3,4,4,5,5-pentafluoropent-1-ene
PubChem CID87403789
Molecular FormulaC5H4ClF5
Molecular Weight194.53 g/mol
Exact Mass193.99
IUPAC Name2-chloro-3,4,4,5,5-pentafluoropent-1-ene
SMILESC=C(Cl)C(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4ClF5/c1-2(6)3(7)5(10,11)4(8)9/h3-4H,1H2
InChIKeyKWXGXDVHQPMYQJ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.53
LogP ≤ 52.98
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-3,4,4,5,5-pentafluoropent-1-ene?
The IUPAC name of 2-chloro-3,4,4,5,5-pentafluoropent-1-ene (CID 87403789) is 2-chloro-3,4,4,5,5-pentafluoropent-1-ene.
What is the SMILES notation for 2-chloro-3,4,4,5,5-pentafluoropent-1-ene?
The canonical SMILES for 2-chloro-3,4,4,5,5-pentafluoropent-1-ene is C=C(Cl)C(F)C(F)(F)C(F)F.
What is the InChIKey of 2-chloro-3,4,4,5,5-pentafluoropent-1-ene?
The InChIKey is KWXGXDVHQPMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF5/c1-2(6)3(7)5(10,11)4(8)9/h3-4H,1H2.
What are the key properties of 2-chloro-3,4,4,5,5-pentafluoropent-1-ene?
2-chloro-3,4,4,5,5-pentafluoropent-1-ene has a molecular weight of 194.53 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,4,5,5-pentafluoropent-1-ene is sourced from PubChem (CID 87403789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).