3-chloro-5-fluorocyclopentene

C5H6ClF — CID 150194416

IUPAC3-chloro-5-fluorocyclopentene
SMILESFC1C=CC(Cl)C1
InChIInChI=1S/C5H6ClF/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2
InChIKeyFODFDOHRKRGROY-UHFFFAOYSA-N
MW120.55 g/mol
LogP1.89
Rot. Bonds

About 3-chloro-5-fluorocyclopentene

3-chloro-5-fluorocyclopentene (PubChem CID 150194416) has the molecular formula C5H6ClF and a molecular weight of 120.55 g/mol. Its IUPAC name is 3-chloro-5-fluorocyclopentene.

Molecular Properties

Compound Name3-chloro-5-fluorocyclopentene
PubChem CID150194416
Molecular FormulaC5H6ClF
Molecular Weight120.55 g/mol
Exact Mass120.01
IUPAC Name3-chloro-5-fluorocyclopentene
SMILESFC1C=CC(Cl)C1
InChIInChI=1S/C5H6ClF/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2
InChIKeyFODFDOHRKRGROY-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.55
LogP ≤ 51.89
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 3-chloro-5-fluorocyclopentene?
The IUPAC name of 3-chloro-5-fluorocyclopentene (CID 150194416) is 3-chloro-5-fluorocyclopentene.
What is the SMILES notation for 3-chloro-5-fluorocyclopentene?
The canonical SMILES for 3-chloro-5-fluorocyclopentene is FC1C=CC(Cl)C1.
What is the InChIKey of 3-chloro-5-fluorocyclopentene?
The InChIKey is FODFDOHRKRGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF/c6-4-1-2-5(7)3-4/h1-2,4-5H,3H2.
What are the key properties of 3-chloro-5-fluorocyclopentene?
3-chloro-5-fluorocyclopentene has a molecular weight of 120.55 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluorocyclopentene is sourced from PubChem (CID 150194416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).