(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane

C12H19FO2 — CID 163433850

IUPAC(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane
SMILESCC[C@@H]1[C@]2(CC2OC)OC2(CC2)[C@]1(C)F
InChIInChI=1S/C12H19FO2/c1-4-8-10(2,13)11(5-6-11)15-12(8)7-9(12)14-3/h8-9H,4-7H2,1-3H3/t8-,9?,10+,12-/m0/s1
InChIKeyASUCCXSFMXRVIC-MPTLKOEISA-N
MW214.28 g/mol
LogP2.46
Rot. Bonds2

About (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane

(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane (PubChem CID 163433850) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane.

Molecular Properties

Compound Name(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane
PubChem CID163433850
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane
SMILESCC[C@@H]1[C@]2(CC2OC)OC2(CC2)[C@]1(C)F
InChIInChI=1S/C12H19FO2/c1-4-8-10(2,13)11(5-6-11)15-12(8)7-9(12)14-3/h8-9H,4-7H2,1-3H3/t8-,9?,10+,12-/m0/s1
InChIKeyASUCCXSFMXRVIC-MPTLKOEISA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane?
The IUPAC name of (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane (CID 163433850) is (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane.
What is the SMILES notation for (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane?
The canonical SMILES for (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane is CC[C@@H]1[C@]2(CC2OC)OC2(CC2)[C@]1(C)F.
What is the InChIKey of (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane?
The InChIKey is ASUCCXSFMXRVIC-MPTLKOEISA-N. The full InChI is InChI=1S/C12H19FO2/c1-4-8-10(2,13)11(5-6-11)15-12(8)7-9(12)14-3/h8-9H,4-7H2,1-3H3/t8-,9?,10+,12-/m0/s1.
What are the key properties of (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane?
(5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane has a molecular weight of 214.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,9R)-8-ethyl-9-fluoro-6-methoxy-9-methyl-4-oxadispiro[2.1.25.23]nonane is sourced from PubChem (CID 163433850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).