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

C10H13FO4 — CID 103546340

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H13FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h1-6H2,(H,12,13)
InChIKeyDQYVYWUKEJTASQ-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.61
Rot. Bonds1

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

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid (PubChem CID 103546340) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
PubChem CID103546340
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H13FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h1-6H2,(H,12,13)
InChIKeyDQYVYWUKEJTASQ-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
CID 143317445
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetate
CID 163240178
2-(3-Fluoro-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 175459011
2-(3-Methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 326126
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 18476082
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)butanoic acid
CID 90376622
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetate
CID 18476081
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)propanoic acid
CID 103546339
(2Z)-2-(1,4-dioxaspiro[4.5]decan-7-ylidene)acetic acid
CID 133621945
2-[(7Z)-1,4-dioxaspiro[4.5]decan-7-ylidene]butanoic acid
CID 165441162

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid (CID 103546340) is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-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-ylidene)-2-fluoroacetic acid?
The InChIKey is DQYVYWUKEJTASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c11-8(9(12)13)7-1-3-10(4-2-7)14-5-6-15-10/h1-6H2,(H,12,13).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid?
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid has a molecular weight of 216.21 g/mol, XLogP of 1.61, 1 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-ylidene)-2-fluoroacetic acid is sourced from PubChem (CID 103546340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).