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

C10H15FO4 — CID 103546342

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-8H,1-6H2,(H,12,13)
InChIKeyUKHTVDSWJYCUTN-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.34
Rot. Bonds2

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

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid (PubChem CID 103546342) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid
PubChem CID103546342
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H15FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-8H,1-6H2,(H,12,13)
InChIKeyUKHTVDSWJYCUTN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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
[4,4-Difluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983939
[4,4-Difluoro-5-hydroxy-3,5-bis(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983943
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983959
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983981
[4,4-Difluoro-5-hydroxy-3-(1,1,2,2,3,3,4,4-octafluorobutyl)-5-(trifluoromethyl)oxolan-3-yl] cyclohexanecarboxylate
CID 57983983

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid (CID 103546342) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid is O=C(O)C(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid?
The InChIKey is UKHTVDSWJYCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h7-8H,1-6H2,(H,12,13).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid has a molecular weight of 218.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetic acid is sourced from PubChem (CID 103546342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).