fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

C10H13FO4 — CID 143317445

IUPACfluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
SMILESO=C(C=C1CCC2(CC1)OCCO2)OF
InChIInChI=1S/C10H13FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2
InChIKeyOEKINASFMQSUGB-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.66
Rot. Bonds1

About fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (PubChem CID 143317445) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate.

Molecular Properties

Compound Namefluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
PubChem CID143317445
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Namefluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
SMILESO=C(C=C1CCC2(CC1)OCCO2)OF
InChIInChI=1S/C10H13FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2
InChIKeyOEKINASFMQSUGB-UHFFFAOYSA-N
XLogP1.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate with MolForge

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

Launch Full Analysis

Related Compounds

Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
CID 373318
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
(6s)-6-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-4-methyl-5,6-dihydro-2h-pyran-2-one
CID 175672810
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)-2-fluoroacetic acid
CID 103546340
2-(3-Methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 326126
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetaldehyde
CID 10943093
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)ethyl acetate
CID 11031548
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
CID 11063747
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate
CID 15602021
2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetic acid
CID 18476082
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)propanoate
CID 59334653

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The IUPAC name of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (CID 143317445) is fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate.
What is the SMILES notation for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The canonical SMILES for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is O=C(C=C1CCC2(CC1)OCCO2)OF.
What is the InChIKey of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The InChIKey is OEKINASFMQSUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4/c11-15-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h7H,1-6H2.
What are the key properties of fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate has a molecular weight of 216.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is sourced from PubChem (CID 143317445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).