2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile

C14H9FINO — CID 103886696

IUPAC2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1cccc(COc2ccccc2I)c1F
InChIInChI=1S/C14H9FINO/c15-14-10(8-17)4-3-5-11(14)9-18-13-7-2-1-6-12(13)16/h1-7H,9H2
InChIKeyRIRLBFDSBIUYBT-UHFFFAOYSA-N
MW353.13 g/mol
LogP3.88
Rot. Bonds3

About 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile

2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile (PubChem CID 103886696) has the molecular formula C14H9FINO and a molecular weight of 353.13 g/mol. Its IUPAC name is 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
PubChem CID103886696
Molecular FormulaC14H9FINO
Molecular Weight353.13 g/mol
Exact Mass352.97
IUPAC Name2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1cccc(COc2ccccc2I)c1F
InChIInChI=1S/C14H9FINO/c15-14-10(8-17)4-3-5-11(14)9-18-13-7-2-1-6-12(13)16/h1-7H,9H2
InChIKeyRIRLBFDSBIUYBT-UHFFFAOYSA-N
XLogP3.88
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-ethynyl-2-[(2-iodophenoxy)methyl]benzene
CID 24853925
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
2-fluoro-3-[(3-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 103912351
2-fluoro-3-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 103886701
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 107114252
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107686265
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107118657
3-[(4-amino-2-chlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113722
3-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107113741
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile (CID 103886696) is 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile is N#Cc1cccc(COc2ccccc2I)c1F.
What is the InChIKey of 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile?
The InChIKey is RIRLBFDSBIUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FINO/c15-14-10(8-17)4-3-5-11(14)9-18-13-7-2-1-6-12(13)16/h1-7H,9H2.
What are the key properties of 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile?
2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile has a molecular weight of 353.13 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-iodophenoxy)methyl]benzonitrile is sourced from PubChem (CID 103886696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).