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

C7Cl2F6 — CID 13031267

IUPAC1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)Cl)c(Cl)c1F
InChIInChI=1S/C7Cl2F6/c8-2-1(7(9,14)15)3(10)5(12)6(13)4(2)11
InChIKeyWXIHTMZVUWQMJS-UHFFFAOYSA-N
MW268.97 g/mol
LogP4.18
Rot. Bonds1

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

1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene (PubChem CID 13031267) has the molecular formula C7Cl2F6 and a molecular weight of 268.97 g/mol. Its IUPAC name is 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene
PubChem CID13031267
Molecular FormulaC7Cl2F6
Molecular Weight268.97 g/mol
Exact Mass267.93
IUPAC Name1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)Cl)c(Cl)c1F
InChIInChI=1S/C7Cl2F6/c8-2-1(7(9,14)15)3(10)5(12)6(13)4(2)11
InChIKeyWXIHTMZVUWQMJS-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.97
LogP ≤ 54.18
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene?
The IUPAC name of 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene (CID 13031267) is 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene is Fc1c(F)c(F)c(C(F)(F)Cl)c(Cl)c1F.
What is the InChIKey of 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene?
The InChIKey is WXIHTMZVUWQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F6/c8-2-1(7(9,14)15)3(10)5(12)6(13)4(2)11.
What are the key properties of 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene?
1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene has a molecular weight of 268.97 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(difluoro)methyl]-3,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 13031267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).