(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one

C10H13FO3 — CID 164531305

IUPAC(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one
SMILESO=C1CC2CC3(CC2[C@H]1F)OCCO3
InChIInChI=1S/C10H13FO3/c11-9-7-5-10(13-1-2-14-10)4-6(7)3-8(9)12/h6-7,9H,1-5H2/t6?,7?,9-/m1/s1
InChIKeyVGYNSLWEXUPUIY-QXUHLLMWSA-N
MW200.21 g/mol
LogP1.07
Rot. Bonds

About (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one

(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one (PubChem CID 164531305) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Name(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one
PubChem CID164531305
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one
SMILESO=C1CC2CC3(CC2[C@H]1F)OCCO3
InChIInChI=1S/C10H13FO3/c11-9-7-5-10(13-1-2-14-10)4-6(7)3-8(9)12/h6-7,9H,1-5H2/t6?,7?,9-/m1/s1
InChIKeyVGYNSLWEXUPUIY-QXUHLLMWSA-N
XLogP1.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-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 (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one?
The IUPAC name of (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one (CID 164531305) is (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one?
The canonical SMILES for (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one is O=C1CC2CC3(CC2[C@H]1F)OCCO3.
What is the InChIKey of (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one?
The InChIKey is VGYNSLWEXUPUIY-QXUHLLMWSA-N. The full InChI is InChI=1S/C10H13FO3/c11-9-7-5-10(13-1-2-14-10)4-6(7)3-8(9)12/h6-7,9H,1-5H2/t6?,7?,9-/m1/s1.
What are the key properties of (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one?
(1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one has a molecular weight of 200.21 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 164531305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).