1-(difluoromethyl)-3-iodobenzene

C7H5F2I — CID 46311736

IUPAC1-(difluoromethyl)-3-iodobenzene
SMILESFC(F)c1cccc(I)c1
InChIInChI=1S/C7H5F2I/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
InChIKeyHROHDLSABVNCEZ-UHFFFAOYSA-N
MW254.02 g/mol
LogP3.23
Rot. Bonds1

About 1-(difluoromethyl)-3-iodobenzene

1-(difluoromethyl)-3-iodobenzene (PubChem CID 46311736) has the molecular formula C7H5F2I and a molecular weight of 254.02 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-iodobenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-iodobenzene
PubChem CID46311736
Molecular FormulaC7H5F2I
Molecular Weight254.02 g/mol
Exact Mass253.94
IUPAC Name1-(difluoromethyl)-3-iodobenzene
SMILESFC(F)c1cccc(I)c1
InChIInChI=1S/C7H5F2I/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
InChIKeyHROHDLSABVNCEZ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iodophenyl)butan-2-one
CID 72942997
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(3,5-difluorophenyl)-(3-iodophenyl)methanol
CID 115793177
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
2-chloro-1-(3-iodophenyl)ethanol
CID 18938569
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
CID 131188755

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-iodobenzene?
The IUPAC name of 1-(difluoromethyl)-3-iodobenzene (CID 46311736) is 1-(difluoromethyl)-3-iodobenzene.
What is the SMILES notation for 1-(difluoromethyl)-3-iodobenzene?
The canonical SMILES for 1-(difluoromethyl)-3-iodobenzene is FC(F)c1cccc(I)c1.
What is the InChIKey of 1-(difluoromethyl)-3-iodobenzene?
The InChIKey is HROHDLSABVNCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2I/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H.
What are the key properties of 1-(difluoromethyl)-3-iodobenzene?
1-(difluoromethyl)-3-iodobenzene has a molecular weight of 254.02 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-iodobenzene is sourced from PubChem (CID 46311736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).