1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene

C7F7I — CID 612419

IUPAC1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)I)c(F)c1F
InChIInChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKeyKBTGPFZDZIZYLB-UHFFFAOYSA-N
MW343.97 g/mol
LogP3.87
Rot. Bonds1

About 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene

1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 612419) has the molecular formula C7F7I and a molecular weight of 343.97 g/mol. Its IUPAC name is 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID612419
Molecular FormulaC7F7I
Molecular Weight343.97 g/mol
Exact Mass343.89
IUPAC Name1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)I)c(F)c1F
InChIInChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKeyKBTGPFZDZIZYLB-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.97
LogP ≤ 53.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene (CID 612419) is 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(F)(F)I)c(F)c1F.
What is the InChIKey of 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is KBTGPFZDZIZYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10.
What are the key properties of 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene?
1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 343.97 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 612419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).