2-(iodomethyl)-4-propan-2-ylfuran

C8H11IO — CID 143077100

IUPAC2-(iodomethyl)-4-propan-2-ylfuran
SMILESCC(C)c1coc(CI)c1
InChIInChI=1S/C8H11IO/c1-6(2)7-3-8(4-9)10-5-7/h3,5-6H,4H2,1-2H3
InChIKeyIACOJVYXFKLGKA-UHFFFAOYSA-N
MW250.08 g/mol
LogP3.34
Rot. Bonds2

About 2-(iodomethyl)-4-propan-2-ylfuran

2-(iodomethyl)-4-propan-2-ylfuran (PubChem CID 143077100) has the molecular formula C8H11IO and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-(iodomethyl)-4-propan-2-ylfuran.

Molecular Properties

Compound Name2-(iodomethyl)-4-propan-2-ylfuran
PubChem CID143077100
Molecular FormulaC8H11IO
Molecular Weight250.08 g/mol
Exact Mass249.99
IUPAC Name2-(iodomethyl)-4-propan-2-ylfuran
SMILESCC(C)c1coc(CI)c1
InChIInChI=1S/C8H11IO/c1-6(2)7-3-8(4-9)10-5-7/h3,5-6H,4H2,1-2H3
InChIKeyIACOJVYXFKLGKA-UHFFFAOYSA-N
XLogP3.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-4-propan-2-ylfuran?
The IUPAC name of 2-(iodomethyl)-4-propan-2-ylfuran (CID 143077100) is 2-(iodomethyl)-4-propan-2-ylfuran.
What is the SMILES notation for 2-(iodomethyl)-4-propan-2-ylfuran?
The canonical SMILES for 2-(iodomethyl)-4-propan-2-ylfuran is CC(C)c1coc(CI)c1.
What is the InChIKey of 2-(iodomethyl)-4-propan-2-ylfuran?
The InChIKey is IACOJVYXFKLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO/c1-6(2)7-3-8(4-9)10-5-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-(iodomethyl)-4-propan-2-ylfuran?
2-(iodomethyl)-4-propan-2-ylfuran has a molecular weight of 250.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4-propan-2-ylfuran is sourced from PubChem (CID 143077100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).