3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane

C15H17BrClFO — CID 82718582

IUPAC3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cc(OC2CC(Br)C23CCCCC3)ccc1Cl
InChIInChI=1S/C15H17BrClFO/c16-13-9-14(15(13)6-2-1-3-7-15)19-10-4-5-11(17)12(18)8-10/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyHNUOQKYUTIXVDG-UHFFFAOYSA-N
MW347.66 g/mol
LogP5.34
Rot. Bonds2

About 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane

3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane (PubChem CID 82718582) has the molecular formula C15H17BrClFO and a molecular weight of 347.66 g/mol. Its IUPAC name is 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
PubChem CID82718582
Molecular FormulaC15H17BrClFO
Molecular Weight347.66 g/mol
Exact Mass346.01
IUPAC Name3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane
SMILESFc1cc(OC2CC(Br)C23CCCCC3)ccc1Cl
InChIInChI=1S/C15H17BrClFO/c16-13-9-14(15(13)6-2-1-3-7-15)19-10-4-5-11(17)12(18)8-10/h4-5,8,13-14H,1-3,6-7,9H2
InChIKeyHNUOQKYUTIXVDG-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.66
LogP ≤ 55.34
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-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275
3-bromo-1-(2,5-dichlorophenoxy)spiro[3.5]nonane
CID 66345459
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-bromo-1-(2-bromo-4-chloro-5-fluorophenoxy)spiro[3.4]octane
CID 114042874
3-bromo-1-(4-chloro-3,5-dimethylphenoxy)spiro[3.5]nonane
CID 66346395
3-bromo-1-(2-chloro-5-methylphenoxy)spiro[3.5]nonane
CID 66345352
3-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
3-bromo-1-(4-bromo-3-methylphenoxy)spiro[3.4]octane
CID 83135169
3-bromo-1-(3-bromo-5-fluorophenoxy)spiro[3.5]nonane
CID 81325637
3-bromo-1-(2-chlorophenoxy)spiro[3.5]nonane
CID 66344838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane (CID 82718582) is 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane is Fc1cc(OC2CC(Br)C23CCCCC3)ccc1Cl.
What is the InChIKey of 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane?
The InChIKey is HNUOQKYUTIXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFO/c16-13-9-14(15(13)6-2-1-3-7-15)19-10-4-5-11(17)12(18)8-10/h4-5,8,13-14H,1-3,6-7,9H2.
What are the key properties of 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane?
3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane has a molecular weight of 347.66 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-chloro-3-fluorophenoxy)spiro[3.5]nonane is sourced from PubChem (CID 82718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).