1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane

C9H8ClF8I — CID 11122870

IUPAC1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C1CCCC1I
InChIInChI=1S/C9H8ClF8I/c10-9(17,18)8(15,16)7(13,14)6(11,12)4-2-1-3-5(4)19/h4-5H,1-3H2
InChIKeyLFOPHMJSPRTPGU-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.33
Rot. Bonds4

About 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane

1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane (PubChem CID 11122870) has the molecular formula C9H8ClF8I and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane.

Molecular Properties

Compound Name1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane
PubChem CID11122870
Molecular FormulaC9H8ClF8I
Molecular Weight430.50 g/mol
Exact Mass429.92
IUPAC Name1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C1CCCC1I
InChIInChI=1S/C9H8ClF8I/c10-9(17,18)8(15,16)7(13,14)6(11,12)4-2-1-3-5(4)19/h4-5H,1-3H2
InChIKeyLFOPHMJSPRTPGU-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.33
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane?
The IUPAC name of 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane (CID 11122870) is 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane.
What is the SMILES notation for 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane?
The canonical SMILES for 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C1CCCC1I.
What is the InChIKey of 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane?
The InChIKey is LFOPHMJSPRTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF8I/c10-9(17,18)8(15,16)7(13,14)6(11,12)4-2-1-3-5(4)19/h4-5H,1-3H2.
What are the key properties of 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane?
1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane has a molecular weight of 430.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane is sourced from PubChem (CID 11122870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).