1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene

C13H9F2IO — CID 81269320

IUPAC1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
SMILESFc1cccc(F)c1OCc1ccc(I)cc1
InChIInChI=1S/C13H9F2IO/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7H,8H2
InChIKeyGQOLGGYYJHHUFP-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.15
Rot. Bonds3

About 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene

1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene (PubChem CID 81269320) has the molecular formula C13H9F2IO and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
PubChem CID81269320
Molecular FormulaC13H9F2IO
Molecular Weight346.11 g/mol
Exact Mass345.97
IUPAC Name1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
SMILESFc1cccc(F)c1OCc1ccc(I)cc1
InChIInChI=1S/C13H9F2IO/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7H,8H2
InChIKeyGQOLGGYYJHHUFP-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
CID 112613649
1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene
CID 114276771
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
[3-[(2,6-difluorophenoxy)methyl]phenyl]boronic acid
CID 81270236
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene (CID 81269320) is 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene is Fc1cccc(F)c1OCc1ccc(I)cc1.
What is the InChIKey of 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene?
The InChIKey is GQOLGGYYJHHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IO/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7H,8H2.
What are the key properties of 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene?
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene has a molecular weight of 346.11 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 81269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).