4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene

C9H8BrF2IO — CID 175686753

IUPAC4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene
SMILESCC(F)(F)COc1cc(Br)ccc1I
InChIInChI=1S/C9H8BrF2IO/c1-9(11,12)5-14-8-4-6(10)2-3-7(8)13/h2-4H,5H2,1H3
InChIKeyGQMABRJDTBEJDT-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene

4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene (PubChem CID 175686753) has the molecular formula C9H8BrF2IO and a molecular weight of 376.97 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene
PubChem CID175686753
Molecular FormulaC9H8BrF2IO
Molecular Weight376.97 g/mol
Exact Mass375.88
IUPAC Name4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene
SMILESCC(F)(F)COc1cc(Br)ccc1I
InChIInChI=1S/C9H8BrF2IO/c1-9(11,12)5-14-8-4-6(10)2-3-7(8)13/h2-4H,5H2,1H3
InChIKeyGQMABRJDTBEJDT-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-5-chloro-4-(2,2-difluoropropoxy)-2-iodobenzene
CID 164888657
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
1,4-bis(2,2-dimethylpropoxy)-2,5-diiodobenzene
CID 86032793
4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
CID 143778642
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
4-bromo-2-isocyano-1-(2,2,2-trifluoroethoxy)benzene
CID 58516372
1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
CID 156587175
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
3-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]pentan-3-amine
CID 107289936

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene?
The IUPAC name of 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene (CID 175686753) is 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene.
What is the SMILES notation for 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene?
The canonical SMILES for 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene is CC(F)(F)COc1cc(Br)ccc1I.
What is the InChIKey of 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene?
The InChIKey is GQMABRJDTBEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2IO/c1-9(11,12)5-14-8-4-6(10)2-3-7(8)13/h2-4H,5H2,1H3.
What are the key properties of 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene?
4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene has a molecular weight of 376.97 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2-difluoropropoxy)-1-iodobenzene is sourced from PubChem (CID 175686753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).