3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane

C15H17Br2FO — CID 81325637

IUPAC3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cc(Br)cc(OC2CC(Br)C23CCCCC3)c1
InChIInChI=1S/C15H17Br2FO/c16-10-6-11(18)8-12(7-10)19-14-9-13(17)15(14)4-2-1-3-5-15/h6-8,13-14H,1-5,9H2
InChIKeyCVDFEQFVPGWAOI-UHFFFAOYSA-N
MW392.11 g/mol
LogP5.45
Rot. Bonds2

About 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane

3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane (PubChem CID 81325637) has the molecular formula C15H17Br2FO and a molecular weight of 392.11 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
PubChem CID81325637
Molecular FormulaC15H17Br2FO
Molecular Weight392.11 g/mol
Exact Mass389.96
IUPAC Name3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cc(Br)cc(OC2CC(Br)C23CCCCC3)c1
InChIInChI=1S/C15H17Br2FO/c16-10-6-11(18)8-12(7-10)19-14-9-13(17)15(14)4-2-1-3-5-15/h6-8,13-14H,1-5,9H2
InChIKeyCVDFEQFVPGWAOI-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.11
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
CID 81326492
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275
3-(3-bromo-5-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 81325638
3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
CID 82718582
3-bromo-1-(4-bromo-3-methylphenoxy)spiro[3.4]octane
CID 83135169
3-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
3-bromo-1-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-bromo-1-(2,5-dibromo-4-methoxyphenoxy)spiro[3.4]octane
CID 79403190
3-bromo-1-(4-methylsulfonylphenoxy)spiro[3.5]nonane
CID 66345783
3-bromo-1-(2-bromo-4-chloro-5-fluorophenoxy)spiro[3.4]octane
CID 114042874
3-bromo-1-(4-tert-butylphenoxy)spiro[3.4]octane
CID 66345048

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane (CID 81325637) is 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane is Fc1cc(Br)cc(OC2CC(Br)C23CCCCC3)c1.
What is the InChIKey of 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane?
The InChIKey is CVDFEQFVPGWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2FO/c16-10-6-11(18)8-12(7-10)19-14-9-13(17)15(14)4-2-1-3-5-15/h6-8,13-14H,1-5,9H2.
What are the key properties of 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane?
3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane has a molecular weight of 392.11 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 81325637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).