(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one

C8H11FO3 — CID 124678764

IUPAC(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(C[C@H]1F)OCCO2
InChIInChI=1S/C8H11FO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6H,1-5H2/t6-/m1/s1
InChIKeyNRPFDYDTOGVMQW-ZCFIWIBFSA-N
MW174.17 g/mol
LogP0.82
Rot. Bonds

About (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one

(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 124678764) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID124678764
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(C[C@H]1F)OCCO2
InChIInChI=1S/C8H11FO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6H,1-5H2/t6-/m1/s1
InChIKeyNRPFDYDTOGVMQW-ZCFIWIBFSA-N
XLogP0.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one (CID 124678764) is (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(C[C@H]1F)OCCO2.
What is the InChIKey of (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is NRPFDYDTOGVMQW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11FO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one?
(7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 174.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 124678764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).