4-ethenyl-2-fluoro-1-iodoheptane

C9H16FI — CID 138555673

IUPAC4-ethenyl-2-fluoro-1-iodoheptane
SMILESC=CC(CCC)CC(F)CI
InChIInChI=1S/C9H16FI/c1-3-5-8(4-2)6-9(10)7-11/h4,8-9H,2-3,5-7H2,1H3
InChIKeyQZZAUFQTFPIYPF-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.75
Rot. Bonds6

About 4-ethenyl-2-fluoro-1-iodoheptane

4-ethenyl-2-fluoro-1-iodoheptane (PubChem CID 138555673) has the molecular formula C9H16FI and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-1-iodoheptane.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-1-iodoheptane
PubChem CID138555673
Molecular FormulaC9H16FI
Molecular Weight270.13 g/mol
Exact Mass270.03
IUPAC Name4-ethenyl-2-fluoro-1-iodoheptane
SMILESC=CC(CCC)CC(F)CI
InChIInChI=1S/C9H16FI/c1-3-5-8(4-2)6-9(10)7-11/h4,8-9H,2-3,5-7H2,1H3
InChIKeyQZZAUFQTFPIYPF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-1-iodoheptane?
The IUPAC name of 4-ethenyl-2-fluoro-1-iodoheptane (CID 138555673) is 4-ethenyl-2-fluoro-1-iodoheptane.
What is the SMILES notation for 4-ethenyl-2-fluoro-1-iodoheptane?
The canonical SMILES for 4-ethenyl-2-fluoro-1-iodoheptane is C=CC(CCC)CC(F)CI.
What is the InChIKey of 4-ethenyl-2-fluoro-1-iodoheptane?
The InChIKey is QZZAUFQTFPIYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FI/c1-3-5-8(4-2)6-9(10)7-11/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 4-ethenyl-2-fluoro-1-iodoheptane?
4-ethenyl-2-fluoro-1-iodoheptane has a molecular weight of 270.13 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-1-iodoheptane is sourced from PubChem (CID 138555673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).