1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene

C13H8BrF2IO — CID 106264107

IUPAC1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
SMILESFc1ccc(Br)c(F)c1COc1cccc(I)c1
InChIInChI=1S/C13H8BrF2IO/c14-11-4-5-12(15)10(13(11)16)7-18-9-3-1-2-8(17)6-9/h1-6H,7H2
InChIKeyZPGFEZRAWSIKEU-UHFFFAOYSA-N
MW425.01 g/mol
LogP4.91
Rot. Bonds3

About 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene

1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene (PubChem CID 106264107) has the molecular formula C13H8BrF2IO and a molecular weight of 425.01 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
PubChem CID106264107
Molecular FormulaC13H8BrF2IO
Molecular Weight425.01 g/mol
Exact Mass423.88
IUPAC Name1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
SMILESFc1ccc(Br)c(F)c1COc1cccc(I)c1
InChIInChI=1S/C13H8BrF2IO/c14-11-4-5-12(15)10(13(11)16)7-18-9-3-1-2-8(17)6-9/h1-6H,7H2
InChIKeyZPGFEZRAWSIKEU-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.01
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264502
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 106263043
1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
CID 106264542
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene?
The IUPAC name of 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene (CID 106264107) is 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene?
The canonical SMILES for 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene is Fc1ccc(Br)c(F)c1COc1cccc(I)c1.
What is the InChIKey of 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene?
The InChIKey is ZPGFEZRAWSIKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2IO/c14-11-4-5-12(15)10(13(11)16)7-18-9-3-1-2-8(17)6-9/h1-6H,7H2.
What are the key properties of 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene?
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene has a molecular weight of 425.01 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene is sourced from PubChem (CID 106264107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).