1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene

C7H2Cl5F — CID 13273346

IUPAC1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
SMILESFc1cc(C(Cl)(Cl)Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl5F/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H
InChIKeyWZWNFRQEMDEWEO-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.96
Rot. Bonds

About 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene

1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene (PubChem CID 13273346) has the molecular formula C7H2Cl5F and a molecular weight of 282.36 g/mol. Its IUPAC name is 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
PubChem CID13273346
Molecular FormulaC7H2Cl5F
Molecular Weight282.36 g/mol
Exact Mass279.86
IUPAC Name1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
SMILESFc1cc(C(Cl)(Cl)Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H2Cl5F/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H
InChIKeyWZWNFRQEMDEWEO-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.96
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-fluoro-4-(trichloromethyl)benzene?
The IUPAC name of 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene (CID 13273346) is 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene?
The canonical SMILES for 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene is Fc1cc(C(Cl)(Cl)Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene?
The InChIKey is WZWNFRQEMDEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl5F/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H.
What are the key properties of 1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene?
1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene has a molecular weight of 282.36 g/mol, XLogP of 4.96, 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-fluoro-4-(trichloromethyl)benzene is sourced from PubChem (CID 13273346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).