1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium

C9H8IRf- — CID 134860925

IUPAC1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium
SMILESC=CCc1[c-]c(I)ccc1.[Rf]
InChIInChI=1S/C9H8I.Rf/c1-2-4-8-5-3-6-9(10)7-8;/h2-3,5-6H,1,4H2;/q-1;
InChIKeyVYGIGRXZFRSPBK-UHFFFAOYSA-N
MW510.07 g/mol
LogP2.82
Rot. Bonds2

About 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium

1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium (PubChem CID 134860925) has the molecular formula C9H8IRf- and a molecular weight of 510.07 g/mol. Its IUPAC name is 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium.

Molecular Properties

Compound Name1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium
PubChem CID134860925
Molecular FormulaC9H8IRf-
Molecular Weight510.07 g/mol
Exact Mass510.09
IUPAC Name1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium
SMILESC=CCc1[c-]c(I)ccc1.[Rf]
InChIInChI=1S/C9H8I.Rf/c1-2-4-8-5-3-6-9(10)7-8;/h2-3,5-6H,1,4H2;/q-1;
InChIKeyVYGIGRXZFRSPBK-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium?
The IUPAC name of 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium (CID 134860925) is 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium.
What is the SMILES notation for 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium?
The canonical SMILES for 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium is C=CCc1[c-]c(I)ccc1.[Rf].
What is the InChIKey of 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium?
The InChIKey is VYGIGRXZFRSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8I.Rf/c1-2-4-8-5-3-6-9(10)7-8;/h2-3,5-6H,1,4H2;/q-1;.
What are the key properties of 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium?
1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium has a molecular weight of 510.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-prop-2-enylbenzene-2-ide;rutherfordium is sourced from PubChem (CID 134860925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).