4,4-diiodobutyl hypofluorite

C4H7FI2O — CID 21091277

IUPAC4,4-diiodobutyl hypofluorite
SMILESFOCCCC(I)I
InChIInChI=1S/C4H7FI2O/c5-8-3-1-2-4(6)7/h4H,1-3H2
InChIKeyRUHBLUSPLYPMPQ-UHFFFAOYSA-N
MW343.91 g/mol
LogP2.86
Rot. Bonds4

About 4,4-diiodobutyl hypofluorite

4,4-diiodobutyl hypofluorite (PubChem CID 21091277) has the molecular formula C4H7FI2O and a molecular weight of 343.91 g/mol. Its IUPAC name is 4,4-diiodobutyl hypofluorite.

Molecular Properties

Compound Name4,4-diiodobutyl hypofluorite
PubChem CID21091277
Molecular FormulaC4H7FI2O
Molecular Weight343.91 g/mol
Exact Mass343.86
IUPAC Name4,4-diiodobutyl hypofluorite
SMILESFOCCCC(I)I
InChIInChI=1S/C4H7FI2O/c5-8-3-1-2-4(6)7/h4H,1-3H2
InChIKeyRUHBLUSPLYPMPQ-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.91
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-diiodobutyl hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-diiodobutyl hypofluorite?
The IUPAC name of 4,4-diiodobutyl hypofluorite (CID 21091277) is 4,4-diiodobutyl hypofluorite.
What is the SMILES notation for 4,4-diiodobutyl hypofluorite?
The canonical SMILES for 4,4-diiodobutyl hypofluorite is FOCCCC(I)I.
What is the InChIKey of 4,4-diiodobutyl hypofluorite?
The InChIKey is RUHBLUSPLYPMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FI2O/c5-8-3-1-2-4(6)7/h4H,1-3H2.
What are the key properties of 4,4-diiodobutyl hypofluorite?
4,4-diiodobutyl hypofluorite has a molecular weight of 343.91 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diiodobutyl hypofluorite is sourced from PubChem (CID 21091277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).