5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene

C8H6ClF5 — CID 87372847

IUPAC5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene
SMILESCC(Cl)C1(F)C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C8H6ClF5/c1-3(9)8(14)2-4(10)5(11)6(12)7(8)13/h2-3,7H,1H3
InChIKeyFREOAXWNOXSMJW-UHFFFAOYSA-N
MW232.58 g/mol
LogP3.68
Rot. Bonds1

About 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene

5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene (PubChem CID 87372847) has the molecular formula C8H6ClF5 and a molecular weight of 232.58 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene
PubChem CID87372847
Molecular FormulaC8H6ClF5
Molecular Weight232.58 g/mol
Exact Mass232.01
IUPAC Name5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene
SMILESCC(Cl)C1(F)C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C8H6ClF5/c1-3(9)8(14)2-4(10)5(11)6(12)7(8)13/h2-3,7H,1H3
InChIKeyFREOAXWNOXSMJW-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.58
LogP ≤ 53.68
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-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene?
The IUPAC name of 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene (CID 87372847) is 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene?
The canonical SMILES for 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene is CC(Cl)C1(F)C=C(F)C(F)=C(F)C1F.
What is the InChIKey of 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene?
The InChIKey is FREOAXWNOXSMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5/c1-3(9)8(14)2-4(10)5(11)6(12)7(8)13/h2-3,7H,1H3.
What are the key properties of 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene?
5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene has a molecular weight of 232.58 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1,2,3,5,6-pentafluorocyclohexa-1,3-diene is sourced from PubChem (CID 87372847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).