1-(fluoromethyl)-4-iodobenzene

C7H6FI — CID 18622345

IUPAC1-(fluoromethyl)-4-iodobenzene
SMILESFCc1ccc(I)cc1
InChIInChI=1S/C7H6FI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKeyGSVQOKOMONAYGQ-UHFFFAOYSA-N
MW236.03 g/mol
LogP2.76
Rot. Bonds1

About 1-(fluoromethyl)-4-iodobenzene

1-(fluoromethyl)-4-iodobenzene (PubChem CID 18622345) has the molecular formula C7H6FI and a molecular weight of 236.03 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-4-iodobenzene
PubChem CID18622345
Molecular FormulaC7H6FI
Molecular Weight236.03 g/mol
Exact Mass235.95
IUPAC Name1-(fluoromethyl)-4-iodobenzene
SMILESFCc1ccc(I)cc1
InChIInChI=1S/C7H6FI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKeyGSVQOKOMONAYGQ-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.03
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[4-(fluoromethyl)phenyl]benzene
CID 54396574
CID 155601608
CID 155601608
2-[(4-iodophenyl)methyl]propanedinitrile
CID 89255539
1-(3-fluorobut-3-enyl)-4-iodobenzene
CID 134402164
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene
CID 54230529
4-[(4-iodophenyl)methyl]pyridine
CID 14743030
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1,3,5-tris(fluoromethyl)benzene
CID 91293384
1,4-diiodobenzene;1,3,5-triiodobenzene
CID 19861513
2-(4-iodophenyl)acetyl chloride
CID 13340573
1-iodo-4-(methylperoxymethyl)benzene
CID 89130854

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-iodobenzene?
The IUPAC name of 1-(fluoromethyl)-4-iodobenzene (CID 18622345) is 1-(fluoromethyl)-4-iodobenzene.
What is the SMILES notation for 1-(fluoromethyl)-4-iodobenzene?
The canonical SMILES for 1-(fluoromethyl)-4-iodobenzene is FCc1ccc(I)cc1.
What is the InChIKey of 1-(fluoromethyl)-4-iodobenzene?
The InChIKey is GSVQOKOMONAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2.
What are the key properties of 1-(fluoromethyl)-4-iodobenzene?
1-(fluoromethyl)-4-iodobenzene has a molecular weight of 236.03 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-iodobenzene is sourced from PubChem (CID 18622345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).