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

C7H2Cl5F — CID 156548422

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

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

1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene (PubChem CID 156548422) has the molecular formula C7H2Cl5F and a molecular weight of 282.36 g/mol. Its IUPAC name is 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene
PubChem CID156548422
Molecular FormulaC7H2Cl5F
Molecular Weight282.36 g/mol
Exact Mass279.86
IUPAC Name1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene
SMILESFc1cc(Cl)c(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C7H2Cl5F/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H
InChIKeySZQMKUNMMIXVRH-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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Related Compounds

1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
CID 13273346
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
2,5-dichloro-4-fluorophenol
CID 3535760
1,2-dichloro-4-methyl-5-(trichloromethyl)benzene
CID 14121751
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(4-chloro-2,5-difluorophenyl)-2-methylpropanenitrile
CID 84784282
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
2-(5-chloro-2,4-difluorophenyl)butan-2-amine
CID 130133970

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene?
The IUPAC name of 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene (CID 156548422) is 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene?
The canonical SMILES for 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene is Fc1cc(Cl)c(C(Cl)(Cl)Cl)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene?
The InChIKey is SZQMKUNMMIXVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl5F/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H.
What are the key properties of 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene?
1,4-dichloro-2-fluoro-5-(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 1,4-dichloro-2-fluoro-5-(trichloromethyl)benzene is sourced from PubChem (CID 156548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).