4,5-dichloro-4,5,5-trifluoropent-1-ene

C5H5Cl2F3 — CID 13128776

IUPAC4,5-dichloro-4,5,5-trifluoropent-1-ene
SMILESC=CCC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5H5Cl2F3/c1-2-3-4(6,8)5(7,9)10/h2H,1,3H2
InChIKeyMKFHKGUFKFYPMB-UHFFFAOYSA-N
MW193.00 g/mol
LogP3.30
Rot. Bonds3

About 4,5-dichloro-4,5,5-trifluoropent-1-ene

4,5-dichloro-4,5,5-trifluoropent-1-ene (PubChem CID 13128776) has the molecular formula C5H5Cl2F3 and a molecular weight of 193.00 g/mol. Its IUPAC name is 4,5-dichloro-4,5,5-trifluoropent-1-ene.

Molecular Properties

Compound Name4,5-dichloro-4,5,5-trifluoropent-1-ene
PubChem CID13128776
Molecular FormulaC5H5Cl2F3
Molecular Weight193.00 g/mol
Exact Mass191.97
IUPAC Name4,5-dichloro-4,5,5-trifluoropent-1-ene
SMILESC=CCC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5H5Cl2F3/c1-2-3-4(6,8)5(7,9)10/h2H,1,3H2
InChIKeyMKFHKGUFKFYPMB-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 53.30
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 4,5-dichloro-4,5,5-trifluoropent-1-ene?
The IUPAC name of 4,5-dichloro-4,5,5-trifluoropent-1-ene (CID 13128776) is 4,5-dichloro-4,5,5-trifluoropent-1-ene.
What is the SMILES notation for 4,5-dichloro-4,5,5-trifluoropent-1-ene?
The canonical SMILES for 4,5-dichloro-4,5,5-trifluoropent-1-ene is C=CCC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 4,5-dichloro-4,5,5-trifluoropent-1-ene?
The InChIKey is MKFHKGUFKFYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2F3/c1-2-3-4(6,8)5(7,9)10/h2H,1,3H2.
What are the key properties of 4,5-dichloro-4,5,5-trifluoropent-1-ene?
4,5-dichloro-4,5,5-trifluoropent-1-ene has a molecular weight of 193.00 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-4,5,5-trifluoropent-1-ene is sourced from PubChem (CID 13128776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).