1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene

C8H5Cl4F — CID 175360558

IUPAC1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
SMILESCC(Cl)(Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl4F/c1-8(11,12)4-2-7(13)6(10)3-5(4)9/h2-3H,1H3
InChIKeyFMDAZNFKGANFBI-UHFFFAOYSA-N
MW261.94 g/mol
LogP4.78
Rot. Bonds1

About 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene

1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene (PubChem CID 175360558) has the molecular formula C8H5Cl4F and a molecular weight of 261.94 g/mol. Its IUPAC name is 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
PubChem CID175360558
Molecular FormulaC8H5Cl4F
Molecular Weight261.94 g/mol
Exact Mass259.91
IUPAC Name1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
SMILESCC(Cl)(Cl)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl4F/c1-8(11,12)4-2-7(13)6(10)3-5(4)9/h2-3H,1H3
InChIKeyFMDAZNFKGANFBI-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.94
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene?
The IUPAC name of 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene (CID 175360558) is 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene.
What is the SMILES notation for 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene?
The canonical SMILES for 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene is CC(Cl)(Cl)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene?
The InChIKey is FMDAZNFKGANFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl4F/c1-8(11,12)4-2-7(13)6(10)3-5(4)9/h2-3H,1H3.
What are the key properties of 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene?
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene has a molecular weight of 261.94 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene is sourced from PubChem (CID 175360558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).