2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

C10H15FO4 — CID 130836945

IUPAC2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)CC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-9(7-8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13)
InChIKeyWZNAFWBWZHAHKJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.49
Rot. Bonds2

About 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 130836945) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
PubChem CID130836945
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
SMILESO=C(O)CC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-9(7-8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13)
InChIKeyWZNAFWBWZHAHKJ-UHFFFAOYSA-N
XLogP1.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]decane-6-carboxylic acid
CID 322629
1,4-Dioxaspiro[4.5]decane-7-carboxylic acid
CID 567492
1,4-Dioxaspiro[4.5]decane-8-carboxylic acid
CID 11745334
2-(1,4-Dioxaspiro(4.5)decan-8-yl)acetic acid
CID 15101121
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
1,4-Dioxaspiro[4.5]decane-6-acetic acid
CID 10943501
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
2,2-Difluoro-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66039794
8-Fluoro-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 130068044
1-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]cyclohexane-1-carboxylic acid
CID 140120942
Fluoro 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 143317456
8-(Fluoromethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 162678887

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid (CID 130836945) is 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is O=C(O)CC1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is WZNAFWBWZHAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c11-9(7-8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7H2,(H,12,13).
What are the key properties of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid?
2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 130836945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).