7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane

C14H16BrFO2 — CID 91265049

IUPAC7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2CC(Br)CC3(C2)OCCO3)cc1
InChIInChI=1S/C14H16BrFO2/c15-12-7-11(10-1-3-13(16)4-2-10)8-14(9-12)17-5-6-18-14/h1-4,11-12H,5-9H2
InChIKeyHHEOZHCFLKUXOB-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.60
Rot. Bonds1

About 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane

7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 91265049) has the molecular formula C14H16BrFO2 and a molecular weight of 315.18 g/mol. Its IUPAC name is 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID91265049
Molecular FormulaC14H16BrFO2
Molecular Weight315.18 g/mol
Exact Mass314.03
IUPAC Name7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2CC(Br)CC3(C2)OCCO3)cc1
InChIInChI=1S/C14H16BrFO2/c15-12-7-11(10-1-3-13(16)4-2-10)8-14(9-12)17-5-6-18-14/h1-4,11-12H,5-9H2
InChIKeyHHEOZHCFLKUXOB-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane (CID 91265049) is 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane is Fc1ccc(C2CC(Br)CC3(C2)OCCO3)cc1.
What is the InChIKey of 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HHEOZHCFLKUXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO2/c15-12-7-11(10-1-3-13(16)4-2-10)8-14(9-12)17-5-6-18-14/h1-4,11-12H,5-9H2.
What are the key properties of 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 315.18 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 91265049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).