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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Related Compounds

CID 2778195
CID 2778195
CID 2782486
CID 2782486
CID 2782621
CID 2782621
CID 12696400
CID 12696400
CID 13609145
CID 13609145
CID 15893033
CID 15893033
CID 2782510
CID 2782510
CID 12701532
CID 12701532
CID 13416584
CID 13416584
CID 13416590
CID 13416590
CID 228600
CID 228600
CID 16743980
CID 16743980

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).