1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane

C15H14F15I — CID 153324225

IUPAC1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCCCC1I
InChIInChI=1S/C15H14F15I/c16-9(17,7-5-3-1-2-4-6-8(7)31)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,1-6H2
InChIKeyOHFNQMJBRAOQKR-UHFFFAOYSA-N
MW606.15 g/mol
LogP8.13
Rot. Bonds6

About 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane

1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane (PubChem CID 153324225) has the molecular formula C15H14F15I and a molecular weight of 606.15 g/mol. Its IUPAC name is 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane.

Molecular Properties

Compound Name1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane
PubChem CID153324225
Molecular FormulaC15H14F15I
Molecular Weight606.15 g/mol
Exact Mass605.99
IUPAC Name1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCCCC1I
InChIInChI=1S/C15H14F15I/c16-9(17,7-5-3-1-2-4-6-8(7)31)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,1-6H2
InChIKeyOHFNQMJBRAOQKR-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.15
LogP ≤ 58.13
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-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane 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-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane?
The IUPAC name of 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane (CID 153324225) is 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane.
What is the SMILES notation for 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane?
The canonical SMILES for 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCCCC1I.
What is the InChIKey of 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane?
The InChIKey is OHFNQMJBRAOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F15I/c16-9(17,7-5-3-1-2-4-6-8(7)31)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7-8H,1-6H2.
What are the key properties of 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane?
1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane has a molecular weight of 606.15 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane is sourced from PubChem (CID 153324225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).