1,3-difluoro-5-(2-iodoethynyl)benzene

C8H3F2I — CID 102221319

IUPAC1,3-difluoro-5-(2-iodoethynyl)benzene
SMILESFc1cc(F)cc(C#CI)c1
InChIInChI=1S/C8H3F2I/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H
InChIKeyVDRBDQVUIPJGEL-UHFFFAOYSA-N
MW264.01 g/mol
LogP2.71
Rot. Bonds

About 1,3-difluoro-5-(2-iodoethynyl)benzene

1,3-difluoro-5-(2-iodoethynyl)benzene (PubChem CID 102221319) has the molecular formula C8H3F2I and a molecular weight of 264.01 g/mol. Its IUPAC name is 1,3-difluoro-5-(2-iodoethynyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(2-iodoethynyl)benzene
PubChem CID102221319
Molecular FormulaC8H3F2I
Molecular Weight264.01 g/mol
Exact Mass263.92
IUPAC Name1,3-difluoro-5-(2-iodoethynyl)benzene
SMILESFc1cc(F)cc(C#CI)c1
InChIInChI=1S/C8H3F2I/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H
InChIKeyVDRBDQVUIPJGEL-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.01
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(2-iodoethynyl)benzene?
The IUPAC name of 1,3-difluoro-5-(2-iodoethynyl)benzene (CID 102221319) is 1,3-difluoro-5-(2-iodoethynyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(2-iodoethynyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(2-iodoethynyl)benzene is Fc1cc(F)cc(C#CI)c1.
What is the InChIKey of 1,3-difluoro-5-(2-iodoethynyl)benzene?
The InChIKey is VDRBDQVUIPJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2I/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H.
What are the key properties of 1,3-difluoro-5-(2-iodoethynyl)benzene?
1,3-difluoro-5-(2-iodoethynyl)benzene has a molecular weight of 264.01 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(2-iodoethynyl)benzene is sourced from PubChem (CID 102221319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).