3-fluoro-1-oxaspiro[4.5]decane

C9H15FO — CID 12038086

IUPAC3-fluoro-1-oxaspiro[4.5]decane
SMILESFC1COC2(CCCCC2)C1
InChIInChI=1S/C9H15FO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyPSFLDCUMOJBLHQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.45
Rot. Bonds

About 3-fluoro-1-oxaspiro[4.5]decane

3-fluoro-1-oxaspiro[4.5]decane (PubChem CID 12038086) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-fluoro-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-fluoro-1-oxaspiro[4.5]decane
PubChem CID12038086
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name3-fluoro-1-oxaspiro[4.5]decane
SMILESFC1COC2(CCCCC2)C1
InChIInChI=1S/C9H15FO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyPSFLDCUMOJBLHQ-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.45
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[4.5]decane?
The IUPAC name of 3-fluoro-1-oxaspiro[4.5]decane (CID 12038086) is 3-fluoro-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3-fluoro-1-oxaspiro[4.5]decane?
The canonical SMILES for 3-fluoro-1-oxaspiro[4.5]decane is FC1COC2(CCCCC2)C1.
What is the InChIKey of 3-fluoro-1-oxaspiro[4.5]decane?
The InChIKey is PSFLDCUMOJBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c10-8-6-9(11-7-8)4-2-1-3-5-9/h8H,1-7H2.
What are the key properties of 3-fluoro-1-oxaspiro[4.5]decane?
3-fluoro-1-oxaspiro[4.5]decane has a molecular weight of 158.22 g/mol, XLogP of 2.45, 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[4.5]decane is sourced from PubChem (CID 12038086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).