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

C13H9F2IO — CID 114930275

IUPAC1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
SMILESFc1cccc(F)c1COc1ccccc1I
InChIInChI=1S/C13H9F2IO/c14-10-4-3-5-11(15)9(10)8-17-13-7-2-1-6-12(13)16/h1-7H,8H2
InChIKeyQNJPSSXQWYEKPB-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.15
Rot. Bonds3

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

1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene (PubChem CID 114930275) has the molecular formula C13H9F2IO and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
PubChem CID114930275
Molecular FormulaC13H9F2IO
Molecular Weight346.11 g/mol
Exact Mass345.97
IUPAC Name1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
SMILESFc1cccc(F)c1COc1ccccc1I
InChIInChI=1S/C13H9F2IO/c14-10-4-3-5-11(15)9(10)8-17-13-7-2-1-6-12(13)16/h1-7H,8H2
InChIKeyQNJPSSXQWYEKPB-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

2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 103978417
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458
2-[[2-(3-chloroprop-1-ynyl)phenoxy]methyl]-1,3-difluorobenzene
CID 114932781
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
CID 103886696
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene?
The IUPAC name of 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene (CID 114930275) is 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene is Fc1cccc(F)c1COc1ccccc1I.
What is the InChIKey of 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene?
The InChIKey is QNJPSSXQWYEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IO/c14-10-4-3-5-11(15)9(10)8-17-13-7-2-1-6-12(13)16/h1-7H,8H2.
What are the key properties of 1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene?
1,3-difluoro-2-[(2-iodophenoxy)methyl]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-[(2-iodophenoxy)methyl]benzene is sourced from PubChem (CID 114930275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).