1,1-dichloro-2-fluoropenta-1,3-diene

C5H5Cl2F — CID 54048488

IUPAC1,1-dichloro-2-fluoropenta-1,3-diene
SMILESCC=CC(F)=C(Cl)Cl
InChIInChI=1S/C5H5Cl2F/c1-2-3-4(8)5(6)7/h2-3H,1H3
InChIKeyLRFNZMGZAXBYDJ-UHFFFAOYSA-N
MW155.00 g/mol
LogP3.18
Rot. Bonds1

About 1,1-dichloro-2-fluoropenta-1,3-diene

1,1-dichloro-2-fluoropenta-1,3-diene (PubChem CID 54048488) has the molecular formula C5H5Cl2F and a molecular weight of 155.00 g/mol. Its IUPAC name is 1,1-dichloro-2-fluoropenta-1,3-diene.

Molecular Properties

Compound Name1,1-dichloro-2-fluoropenta-1,3-diene
PubChem CID54048488
Molecular FormulaC5H5Cl2F
Molecular Weight155.00 g/mol
Exact Mass153.98
IUPAC Name1,1-dichloro-2-fluoropenta-1,3-diene
SMILESCC=CC(F)=C(Cl)Cl
InChIInChI=1S/C5H5Cl2F/c1-2-3-4(8)5(6)7/h2-3H,1H3
InChIKeyLRFNZMGZAXBYDJ-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.00
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-fluoropenta-1,3-diene?
The IUPAC name of 1,1-dichloro-2-fluoropenta-1,3-diene (CID 54048488) is 1,1-dichloro-2-fluoropenta-1,3-diene.
What is the SMILES notation for 1,1-dichloro-2-fluoropenta-1,3-diene?
The canonical SMILES for 1,1-dichloro-2-fluoropenta-1,3-diene is CC=CC(F)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-fluoropenta-1,3-diene?
The InChIKey is LRFNZMGZAXBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2F/c1-2-3-4(8)5(6)7/h2-3H,1H3.
What are the key properties of 1,1-dichloro-2-fluoropenta-1,3-diene?
1,1-dichloro-2-fluoropenta-1,3-diene has a molecular weight of 155.00 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-fluoropenta-1,3-diene is sourced from PubChem (CID 54048488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).