6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane

C14H17FINO2 — CID 129051457

IUPAC6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESFc1cc(I)ccc1OCCCN1CC2(COC2)C1
InChIInChI=1S/C14H17FINO2/c15-12-6-11(16)2-3-13(12)19-5-1-4-17-7-14(8-17)9-18-10-14/h2-3,6H,1,4-5,7-10H2
InChIKeyBDAZUKGMGQPYLT-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.53
Rot. Bonds5

About 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane

6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 129051457) has the molecular formula C14H17FINO2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID129051457
Molecular FormulaC14H17FINO2
Molecular Weight377.20 g/mol
Exact Mass377.03
IUPAC Name6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESFc1cc(I)ccc1OCCCN1CC2(COC2)C1
InChIInChI=1S/C14H17FINO2/c15-12-6-11(16)2-3-13(12)19-5-1-4-17-7-14(8-17)9-18-10-14/h2-3,6H,1,4-5,7-10H2
InChIKeyBDAZUKGMGQPYLT-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane (CID 129051457) is 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane is Fc1cc(I)ccc1OCCCN1CC2(COC2)C1.
What is the InChIKey of 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is BDAZUKGMGQPYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO2/c15-12-6-11(16)2-3-13(12)19-5-1-4-17-7-14(8-17)9-18-10-14/h2-3,6H,1,4-5,7-10H2.
What are the key properties of 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 377.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 129051457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).