1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene

C8Cl2F8 — CID 24851311

IUPAC1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(C(F)(F)Cl)c(F)c(F)c1C(F)(F)Cl
InChIInChI=1S/C8Cl2F8/c9-7(15,16)1-3(11)5(13)2(8(10,17)18)6(14)4(1)12
InChIKeyDTVAMBZXZSKQGJ-UHFFFAOYSA-N
MW318.98 g/mol
LogP4.82
Rot. Bonds2

About 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene

1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene (PubChem CID 24851311) has the molecular formula C8Cl2F8 and a molecular weight of 318.98 g/mol. Its IUPAC name is 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene
PubChem CID24851311
Molecular FormulaC8Cl2F8
Molecular Weight318.98 g/mol
Exact Mass317.92
IUPAC Name1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(C(F)(F)Cl)c(F)c(F)c1C(F)(F)Cl
InChIInChI=1S/C8Cl2F8/c9-7(15,16)1-3(11)5(13)2(8(10,17)18)6(14)4(1)12
InChIKeyDTVAMBZXZSKQGJ-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.98
LogP ≤ 54.82
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 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene (CID 24851311) is 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene is Fc1c(F)c(C(F)(F)Cl)c(F)c(F)c1C(F)(F)Cl.
What is the InChIKey of 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene?
The InChIKey is DTVAMBZXZSKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F8/c9-7(15,16)1-3(11)5(13)2(8(10,17)18)6(14)4(1)12.
What are the key properties of 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene?
1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene has a molecular weight of 318.98 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[chloro(difluoro)methyl]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 24851311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).