2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene

C8H12FIO — CID 117881834

IUPAC2-fluoro-3-iodo-1-methoxy-5-methylcyclohexene
SMILESCC1CC(C(=C(C1)OC)F)I
InChIInChI=1S/C8H12FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h5-6H,3-4H2,1-2H3
InChIKeyYJZBIBIIRHWHEZ-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.60
Rot. Bonds1

About 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene

2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene (PubChem CID 117881834) has the molecular formula C8H12FIO and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-fluoro-3-iodo-1-methoxy-5-methylcyclohexene.

Molecular Properties

Compound Name2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene
PubChem CID117881834
Molecular FormulaC8H12FIO
Molecular Weight270.08 g/mol
Exact Mass269.99
IUPAC Name2-fluoro-3-iodo-1-methoxy-5-methylcyclohexene
SMILESCC1CC(C(=C(C1)OC)F)I
InChIInChI=1S/C8H12FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h5-6H,3-4H2,1-2H3
InChIKeyYJZBIBIIRHWHEZ-UHFFFAOYSA-N
XLogP2.60
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene?
The IUPAC name of 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene (CID 117881834) is 2-fluoro-3-iodo-1-methoxy-5-methylcyclohexene.
What is the SMILES notation for 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene?
The canonical SMILES for 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene is CC1CC(C(=C(C1)OC)F)I.
What is the InChIKey of 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene?
The InChIKey is YJZBIBIIRHWHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FIO/c1-5-3-6(10)8(9)7(4-5)11-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene?
2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene has a molecular weight of 270.08 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene is sourced from PubChem (CID 117881834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).