3-fluoro-4,5-diiodobenzonitrile

C7H2FI2N — CID 130840586

IUPAC3-fluoro-4,5-diiodobenzonitrile
SMILESN#Cc1cc(F)c(I)c(I)c1
InChIInChI=1S/C7H2FI2N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
InChIKeyLQZLUBILOAEIAD-UHFFFAOYSA-N
MW372.91 g/mol
LogP2.91
Rot. Bonds

About 3-fluoro-4,5-diiodobenzonitrile

3-fluoro-4,5-diiodobenzonitrile (PubChem CID 130840586) has the molecular formula C7H2FI2N and a molecular weight of 372.91 g/mol. Its IUPAC name is 3-fluoro-4,5-diiodobenzonitrile.

Molecular Properties

Compound Name3-fluoro-4,5-diiodobenzonitrile
PubChem CID130840586
Molecular FormulaC7H2FI2N
Molecular Weight372.91 g/mol
Exact Mass372.83
IUPAC Name3-fluoro-4,5-diiodobenzonitrile
SMILESN#Cc1cc(F)c(I)c(I)c1
InChIInChI=1S/C7H2FI2N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
InChIKeyLQZLUBILOAEIAD-UHFFFAOYSA-N
XLogP2.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.91
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-iodobenzonitrile
CID 24721521
4-(2-bromoacetyl)-3-fluoro-5-iodobenzonitrile
CID 171021896
4-chloro-3,5-difluorobenzonitrile
CID 19612372
3,4-dihydroxy-5-iodobenzonitrile
CID 86050073
N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
CID 67244741
3-fluoro-5-iodobenzonitrile
CID 2758988
ethyl 5-cyano-3-fluoro-2-iodobenzoate
CID 131531973
4-(cyanomethyl)-3,5-difluorobenzonitrile
CID 118821709
3,5-diamino-4-iodobenzonitrile
CID 131292855
4-(2-aminoethylamino)-3,5-difluorobenzonitrile
CID 81294761
4-tert-butylsulfanyl-3,5-difluorobenzonitrile
CID 81283930
4-cyclopropyl-3,5-difluorobenzonitrile
CID 118879698

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,5-diiodobenzonitrile?
The IUPAC name of 3-fluoro-4,5-diiodobenzonitrile (CID 130840586) is 3-fluoro-4,5-diiodobenzonitrile.
What is the SMILES notation for 3-fluoro-4,5-diiodobenzonitrile?
The canonical SMILES for 3-fluoro-4,5-diiodobenzonitrile is N#Cc1cc(F)c(I)c(I)c1.
What is the InChIKey of 3-fluoro-4,5-diiodobenzonitrile?
The InChIKey is LQZLUBILOAEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2FI2N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H.
What are the key properties of 3-fluoro-4,5-diiodobenzonitrile?
3-fluoro-4,5-diiodobenzonitrile has a molecular weight of 372.91 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,5-diiodobenzonitrile is sourced from PubChem (CID 130840586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).