8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane

C14H16FIO2 — CID 18787924

IUPAC8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(C2CCC3(CC2)OCCO3)ccc1I
InChIInChI=1S/C14H16FIO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2
InChIKeyNLBBLKIVYRXLRT-UHFFFAOYSA-N
MW362.18 g/mol
LogP3.83
Rot. Bonds1

About 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane

8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 18787924) has the molecular formula C14H16FIO2 and a molecular weight of 362.18 g/mol. Its IUPAC name is 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID18787924
Molecular FormulaC14H16FIO2
Molecular Weight362.18 g/mol
Exact Mass362.02
IUPAC Name8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(C2CCC3(CC2)OCCO3)ccc1I
InChIInChI=1S/C14H16FIO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2
InChIKeyNLBBLKIVYRXLRT-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane 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 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane (CID 18787924) is 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane is Fc1cc(C2CCC3(CC2)OCCO3)ccc1I.
What is the InChIKey of 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is NLBBLKIVYRXLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2.
What are the key properties of 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 362.18 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 18787924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).