3-fluoro-1-oxaspiro[4.4]nonane

C8H13FO — CID 156730672

IUPAC3-fluoro-1-oxaspiro[4.4]nonane
SMILESFC1COC2(CCCC2)C1
InChIInChI=1S/C8H13FO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6H2
InChIKeyJNLVFUXAPVNQMJ-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.06
Rot. Bonds

About 3-fluoro-1-oxaspiro[4.4]nonane

3-fluoro-1-oxaspiro[4.4]nonane (PubChem CID 156730672) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-fluoro-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-fluoro-1-oxaspiro[4.4]nonane
PubChem CID156730672
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-fluoro-1-oxaspiro[4.4]nonane
SMILESFC1COC2(CCCC2)C1
InChIInChI=1S/C8H13FO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6H2
InChIKeyJNLVFUXAPVNQMJ-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-oxaspiro[4.4]nonane?
The IUPAC name of 3-fluoro-1-oxaspiro[4.4]nonane (CID 156730672) is 3-fluoro-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 3-fluoro-1-oxaspiro[4.4]nonane?
The canonical SMILES for 3-fluoro-1-oxaspiro[4.4]nonane is FC1COC2(CCCC2)C1.
What is the InChIKey of 3-fluoro-1-oxaspiro[4.4]nonane?
The InChIKey is JNLVFUXAPVNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c9-7-5-8(10-6-7)3-1-2-4-8/h7H,1-6H2.
What are the key properties of 3-fluoro-1-oxaspiro[4.4]nonane?
3-fluoro-1-oxaspiro[4.4]nonane has a molecular weight of 144.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 156730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).