1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene

C8H4Cl2F4 — CID 2756724

IUPAC1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(CCl)c(F)c(F)c1CCl
InChIInChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKeyWEUAASLFNKTIIM-UHFFFAOYSA-N
MW247.02 g/mol
LogP3.72
Rot. Bonds2

About 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene

1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 2756724) has the molecular formula C8H4Cl2F4 and a molecular weight of 247.02 g/mol. Its IUPAC name is 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
PubChem CID2756724
Molecular FormulaC8H4Cl2F4
Molecular Weight247.02 g/mol
Exact Mass245.96
IUPAC Name1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(CCl)c(F)c(F)c1CCl
InChIInChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKeyWEUAASLFNKTIIM-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.02
LogP ≤ 53.72
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

p-Trifluoromethylbenzyl chloride
CID 123096
(Chloromethyl)pentafluorobenzene
CID 69557
2,3,5,6-Tetrafluoro-p-xylene
CID 136549
1,4-Bis(chlorodifluoromethyl)benzene
CID 611125
1-(Chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 21463583
2,3,4,6-Tetrafluorobenzyl chloride
CID 2783278
1-(Chloromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 13625335
1-(Dichloromethyl)-4-(trifluoromethyl)benzene
CID 2777377
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
3-(Chloromethyl)-1,2,4,5-tetrafluorobenzene
CID 2782588
3-Fluoro-4-(trifluoromethyl)benzyl chloride
CID 22262070
1-(Chloromethyl)-4-(difluoromethyl)benzene
CID 75480917

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene (CID 2756724) is 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene is Fc1c(F)c(CCl)c(F)c(F)c1CCl.
What is the InChIKey of 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is WEUAASLFNKTIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2.
What are the key properties of 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene?
1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene has a molecular weight of 247.02 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 2756724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).