8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane

C14H16ClFO2 — CID 82727190

IUPAC8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
SMILESFc1cc(OC2CCOC3(CCC3)C2)ccc1Cl
InChIInChI=1S/C14H16ClFO2/c15-12-3-2-10(8-13(12)16)18-11-4-7-17-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2
InChIKeyNLZXDOFTSLGQDQ-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.96
Rot. Bonds2

About 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane

8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane (PubChem CID 82727190) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
PubChem CID82727190
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
SMILESFc1cc(OC2CCOC3(CCC3)C2)ccc1Cl
InChIInChI=1S/C14H16ClFO2/c15-12-3-2-10(8-13(12)16)18-11-4-7-17-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2
InChIKeyNLZXDOFTSLGQDQ-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[5-Chloro-2-(4-fluorobenzyloxy)phenyl]boronic acid
CID 21112919
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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane (CID 82727190) is 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane is Fc1cc(OC2CCOC3(CCC3)C2)ccc1Cl.
What is the InChIKey of 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane?
The InChIKey is NLZXDOFTSLGQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c15-12-3-2-10(8-13(12)16)18-11-4-7-17-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2.
What are the key properties of 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane?
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane has a molecular weight of 270.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 82727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).