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

C14H9FINO — CID 114014305

IUPAC4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccc(I)c1
InChIInChI=1S/C14H9FINO/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7H,9H2
InChIKeyDLVLLTFPKVUKBT-UHFFFAOYSA-N
MW353.13 g/mol
LogP3.88
Rot. Bonds3

About 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile

4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile (PubChem CID 114014305) has the molecular formula C14H9FINO and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
PubChem CID114014305
Molecular FormulaC14H9FINO
Molecular Weight353.13 g/mol
Exact Mass352.97
IUPAC Name4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccc(I)c1
InChIInChI=1S/C14H9FINO/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7H,9H2
InChIKeyDLVLLTFPKVUKBT-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

4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzonitrile
CID 107903218
2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
CID 103761094
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
CID 107902761
4-fluoro-2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 103760042
4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
CID 103759988

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile (CID 114014305) is 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile is N#Cc1ccc(F)cc1COc1cccc(I)c1.
What is the InChIKey of 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile?
The InChIKey is DLVLLTFPKVUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FINO/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7H,9H2.
What are the key properties of 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile?
4-fluoro-2-[(3-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 4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile is sourced from PubChem (CID 114014305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).