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

C15H18BrFO — CID 66345275

IUPAC3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cccc(OC2CC(Br)C23CCCCC3)c1
InChIInChI=1S/C15H18BrFO/c16-13-10-14(15(13)7-2-1-3-8-15)18-12-6-4-5-11(17)9-12/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyHFUOHBBVNJHTOD-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.69
Rot. Bonds2

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

3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane (PubChem CID 66345275) has the molecular formula C15H18BrFO and a molecular weight of 313.21 g/mol. Its IUPAC name is 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
PubChem CID66345275
Molecular FormulaC15H18BrFO
Molecular Weight313.21 g/mol
Exact Mass312.05
IUPAC Name3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cccc(OC2CC(Br)C23CCCCC3)c1
InChIInChI=1S/C15H18BrFO/c16-13-10-14(15(13)7-2-1-3-8-15)18-12-6-4-5-11(17)9-12/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyHFUOHBBVNJHTOD-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.69
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-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
CID 81325637
N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329
3-bromo-1-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-bromo-1-(4-bromo-3-methylphenoxy)spiro[3.4]octane
CID 83135169
3-bromo-1-(4-chloro-3,5-dimethylphenoxy)spiro[3.5]nonane
CID 66346395
3-bromo-1-(4-methylsulfonylphenoxy)spiro[3.5]nonane
CID 66345783
3-bromo-1-(4-tert-butylphenoxy)spiro[3.4]octane
CID 66345048
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
3-bromo-1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octane
CID 66344195
3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane
CID 66344838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane (CID 66345275) is 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane is Fc1cccc(OC2CC(Br)C23CCCCC3)c1.
What is the InChIKey of 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane?
The InChIKey is HFUOHBBVNJHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO/c16-13-10-14(15(13)7-2-1-3-8-15)18-12-6-4-5-11(17)9-12/h4-6,9,13-14H,1-3,7-8,10H2.
What are the key properties of 3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane?
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane has a molecular weight of 313.21 g/mol, XLogP of 4.69, 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-fluorophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 66345275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).