5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene

C5H3ClF6 — CID 87213460

IUPAC5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)Cl
InChIInChI=1S/C5H3ClF6/c6-5(11,12)2-4(9,10)1-3(7)8/h1H,2H2
InChIKeyMVNBLQXTGKTFOL-UHFFFAOYSA-N
MW212.52 g/mol
LogP3.62
Rot. Bonds3

About 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene

5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene (PubChem CID 87213460) has the molecular formula C5H3ClF6 and a molecular weight of 212.52 g/mol. Its IUPAC name is 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene.

Molecular Properties

Compound Name5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene
PubChem CID87213460
Molecular FormulaC5H3ClF6
Molecular Weight212.52 g/mol
Exact Mass211.98
IUPAC Name5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)Cl
InChIInChI=1S/C5H3ClF6/c6-5(11,12)2-4(9,10)1-3(7)8/h1H,2H2
InChIKeyMVNBLQXTGKTFOL-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.52
LogP ≤ 53.62
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 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene?
The IUPAC name of 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene (CID 87213460) is 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene.
What is the SMILES notation for 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene?
The canonical SMILES for 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene is FC(F)=CC(F)(F)CC(F)(F)Cl.
What is the InChIKey of 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene?
The InChIKey is MVNBLQXTGKTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF6/c6-5(11,12)2-4(9,10)1-3(7)8/h1H,2H2.
What are the key properties of 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene?
5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene has a molecular weight of 212.52 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,3,3,5,5-hexafluoropent-1-ene is sourced from PubChem (CID 87213460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).