2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid

C15H16ClFO3 — CID 65006203

IUPAC2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2c(F)cccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C15H16ClFO3/c16-10-2-1-3-11(17)12(10)15(13(18)19)8-14(9-15)4-6-20-7-5-14/h1-3H,4-9H2,(H,18,19)
InChIKeyGLZMZIBKCSYGSN-UHFFFAOYSA-N
MW298.74 g/mol
LogP3.39
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid

2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 65006203) has the molecular formula C15H16ClFO3 and a molecular weight of 298.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID65006203
Molecular FormulaC15H16ClFO3
Molecular Weight298.74 g/mol
Exact Mass298.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2c(F)cccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C15H16ClFO3/c16-10-2-1-3-11(17)12(10)15(13(18)19)8-14(9-15)4-6-20-7-5-14/h1-3H,4-9H2,(H,18,19)
InChIKeyGLZMZIBKCSYGSN-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid (CID 65006203) is 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid is O=C(O)C1(c2c(F)cccc2Cl)CC2(CCOCC2)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is GLZMZIBKCSYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFO3/c16-10-2-1-3-11(17)12(10)15(13(18)19)8-14(9-15)4-6-20-7-5-14/h1-3H,4-9H2,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 298.74 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 65006203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).