1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane

C9H10F5I — CID 15033845

IUPAC1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
SMILESFC(F)=C(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C9H10F5I/c10-7(8(11)12)9(13,14)5-3-1-2-4-6(5)15/h5-6H,1-4H2
InChIKeyXVJSANYNVMPCQZ-UHFFFAOYSA-N
MW340.07 g/mol
LogP4.69
Rot. Bonds2

About 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane

1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane (PubChem CID 15033845) has the molecular formula C9H10F5I and a molecular weight of 340.07 g/mol. Its IUPAC name is 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane.

Molecular Properties

Compound Name1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
PubChem CID15033845
Molecular FormulaC9H10F5I
Molecular Weight340.07 g/mol
Exact Mass339.97
IUPAC Name1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
SMILESFC(F)=C(F)C(F)(F)C1CCCCC1I
InChIInChI=1S/C9H10F5I/c10-7(8(11)12)9(13,14)5-3-1-2-4-6(5)15/h5-6H,1-4H2
InChIKeyXVJSANYNVMPCQZ-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 54.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane?
The IUPAC name of 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane (CID 15033845) is 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane.
What is the SMILES notation for 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane?
The canonical SMILES for 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane is FC(F)=C(F)C(F)(F)C1CCCCC1I.
What is the InChIKey of 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane?
The InChIKey is XVJSANYNVMPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5I/c10-7(8(11)12)9(13,14)5-3-1-2-4-6(5)15/h5-6H,1-4H2.
What are the key properties of 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane?
1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane has a molecular weight of 340.07 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane is sourced from PubChem (CID 15033845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).