1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene

C7Cl2F6 — CID 13416590

IUPAC1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(Cl)Cl)c(F)c1F
InChIInChI=1S/C7Cl2F6/c8-7(9,15)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyOQONGEYIVSLBNU-UHFFFAOYSA-N
MW268.97 g/mol
LogP3.94
Rot. Bonds1

About 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene

1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 13416590) has the molecular formula C7Cl2F6 and a molecular weight of 268.97 g/mol. Its IUPAC name is 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID13416590
Molecular FormulaC7Cl2F6
Molecular Weight268.97 g/mol
Exact Mass267.93
IUPAC Name1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(Cl)Cl)c(F)c1F
InChIInChI=1S/C7Cl2F6/c8-7(9,15)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyOQONGEYIVSLBNU-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene (CID 13416590) is 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(F)(Cl)Cl)c(F)c1F.
What is the InChIKey of 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is OQONGEYIVSLBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F6/c8-7(9,15)1-2(10)4(12)6(14)5(13)3(1)11.
What are the key properties of 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene?
1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 268.97 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 13416590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).