1,5-dichloro-2,3,4-trifluorobenzene-6-ide

C6Cl2F3- — CID 101432351

IUPAC1,5-dichloro-2,3,4-trifluorobenzene-6-ide
SMILESFc1c(Cl)[c-]c(Cl)c(F)c1F
InChIInChI=1S/C6Cl2F3/c7-2-1-3(8)5(10)6(11)4(2)9/q-1
InChIKeyIQRNKPGUHNGTJT-UHFFFAOYSA-N
MW199.97 g/mol
LogP3.21
Rot. Bonds

About 1,5-dichloro-2,3,4-trifluorobenzene-6-ide

1,5-dichloro-2,3,4-trifluorobenzene-6-ide (PubChem CID 101432351) has the molecular formula C6Cl2F3- and a molecular weight of 199.97 g/mol. Its IUPAC name is 1,5-dichloro-2,3,4-trifluorobenzene-6-ide.

Molecular Properties

Compound Name1,5-dichloro-2,3,4-trifluorobenzene-6-ide
PubChem CID101432351
Molecular FormulaC6Cl2F3-
Molecular Weight199.97 g/mol
Exact Mass198.93
IUPAC Name1,5-dichloro-2,3,4-trifluorobenzene-6-ide
SMILESFc1c(Cl)[c-]c(Cl)c(F)c1F
InChIInChI=1S/C6Cl2F3/c7-2-1-3(8)5(10)6(11)4(2)9/q-1
InChIKeyIQRNKPGUHNGTJT-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-dichloro-2,3,4-trifluorobenzene-6-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,3,4-trifluorobenzene-6-ide?
The IUPAC name of 1,5-dichloro-2,3,4-trifluorobenzene-6-ide (CID 101432351) is 1,5-dichloro-2,3,4-trifluorobenzene-6-ide.
What is the SMILES notation for 1,5-dichloro-2,3,4-trifluorobenzene-6-ide?
The canonical SMILES for 1,5-dichloro-2,3,4-trifluorobenzene-6-ide is Fc1c(Cl)[c-]c(Cl)c(F)c1F.
What is the InChIKey of 1,5-dichloro-2,3,4-trifluorobenzene-6-ide?
The InChIKey is IQRNKPGUHNGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F3/c7-2-1-3(8)5(10)6(11)4(2)9/q-1.
What are the key properties of 1,5-dichloro-2,3,4-trifluorobenzene-6-ide?
1,5-dichloro-2,3,4-trifluorobenzene-6-ide has a molecular weight of 199.97 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2,3,4-trifluorobenzene-6-ide is sourced from PubChem (CID 101432351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).