2,3-dichloro-4-ethyl-1,5-difluorobenzene

C8H6Cl2F2 — CID 155190047

IUPAC2,3-dichloro-4-ethyl-1,5-difluorobenzene
SMILESCCc1c(F)cc(F)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F2/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2H2,1H3
InChIKeyOLVYLTNSESUBJE-UHFFFAOYSA-N
MW211.04 g/mol
LogP3.83
Rot. Bonds1

About 2,3-dichloro-4-ethyl-1,5-difluorobenzene

2,3-dichloro-4-ethyl-1,5-difluorobenzene (PubChem CID 155190047) has the molecular formula C8H6Cl2F2 and a molecular weight of 211.04 g/mol. Its IUPAC name is 2,3-dichloro-4-ethyl-1,5-difluorobenzene.

Molecular Properties

Compound Name2,3-dichloro-4-ethyl-1,5-difluorobenzene
PubChem CID155190047
Molecular FormulaC8H6Cl2F2
Molecular Weight211.04 g/mol
Exact Mass209.98
IUPAC Name2,3-dichloro-4-ethyl-1,5-difluorobenzene
SMILESCCc1c(F)cc(F)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F2/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2H2,1H3
InChIKeyOLVYLTNSESUBJE-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.04
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-ethyl-1,5-difluorobenzene?
The IUPAC name of 2,3-dichloro-4-ethyl-1,5-difluorobenzene (CID 155190047) is 2,3-dichloro-4-ethyl-1,5-difluorobenzene.
What is the SMILES notation for 2,3-dichloro-4-ethyl-1,5-difluorobenzene?
The canonical SMILES for 2,3-dichloro-4-ethyl-1,5-difluorobenzene is CCc1c(F)cc(F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-ethyl-1,5-difluorobenzene?
The InChIKey is OLVYLTNSESUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2H2,1H3.
What are the key properties of 2,3-dichloro-4-ethyl-1,5-difluorobenzene?
2,3-dichloro-4-ethyl-1,5-difluorobenzene has a molecular weight of 211.04 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-ethyl-1,5-difluorobenzene is sourced from PubChem (CID 155190047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).