1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene

C13H8F4I2 — CID 161082404

IUPAC1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(I)c1.Fc1cccc(I)c1
InChIInChI=1S/C7H4F3I.C6H4FI/c8-7(9,10)5-2-1-3-6(11)4-5;7-5-2-1-3-6(8)4-5/h1-4H;1-4H
InChIKeyUGBRSDYPHYOCDV-UHFFFAOYSA-N
MW494.01 g/mol
LogP5.74
Rot. Bonds

About 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene

1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene (PubChem CID 161082404) has the molecular formula C13H8F4I2 and a molecular weight of 494.01 g/mol. Its IUPAC name is 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
PubChem CID161082404
Molecular FormulaC13H8F4I2
Molecular Weight494.01 g/mol
Exact Mass493.87
IUPAC Name1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(I)c1.Fc1cccc(I)c1
InChIInChI=1S/C7H4F3I.C6H4FI/c8-7(9,10)5-2-1-3-6(11)4-5;7-5-2-1-3-6(8)4-5/h1-4H;1-4H
InChIKeyUGBRSDYPHYOCDV-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.01
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene (CID 161082404) is 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(I)c1.Fc1cccc(I)c1.
What is the InChIKey of 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene?
The InChIKey is UGBRSDYPHYOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3I.C6H4FI/c8-7(9,10)5-2-1-3-6(11)4-5;7-5-2-1-3-6(8)4-5/h1-4H;1-4H.
What are the key properties of 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene?
1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene has a molecular weight of 494.01 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-iodobenzene;1-iodo-3-(trifluoromethyl)benzene is sourced from PubChem (CID 161082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).