3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane

C15H24FNO — CID 90831708

IUPAC3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(=CC=C1CCC2(CCNCC2)OC1C)CF
InChIInChI=1S/C15H24FNO/c1-12(11-16)3-4-14-5-6-15(18-13(14)2)7-9-17-10-8-15/h3-4,13,17H,5-11H2,1-2H3
InChIKeyXDZIPSWUMZJUBS-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.15
Rot. Bonds2

About 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane

3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 90831708) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID90831708
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCC(=CC=C1CCC2(CCNCC2)OC1C)CF
InChIInChI=1S/C15H24FNO/c1-12(11-16)3-4-14-5-6-15(18-13(14)2)7-9-17-10-8-15/h3-4,13,17H,5-11H2,1-2H3
InChIKeyXDZIPSWUMZJUBS-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane 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

6-fluorospiro[5,6-dihydro-4H-2-benzofuran-1,4'-piperidine]
CID 69574771
5-fluoro-1-(2-methylpropyl)spiro[3a,6-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 69859690
6-Fluoro-1,1-dimethylspiro[4,5-dihydro-2-benzofuran-3,4'-piperidine]
CID 69939519
4-[4-(1-Ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
CID 134376383
1,5-dihydrospiro[4H-2-benzopyran-1,4'-piperidine]
CID 21268197
spiro[5,6-dihydro-4H-2-benzofuran-1,4'-piperidine]
CID 69871500
ethane;(2E)-2-ethylidene-3-methylidene-1-oxa-9-azaspiro[5.5]undecane;methanamine
CID 141812194
Spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
CID 142283443
4-(1-Oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 102902804
(2E)-2-ethylidene-3-methylidene-1-oxa-9-azaspiro[5.5]undecane
CID 141812195

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane (CID 90831708) is 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane is CC(=CC=C1CCC2(CCNCC2)OC1C)CF.
What is the InChIKey of 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is XDZIPSWUMZJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(11-16)3-4-14-5-6-15(18-13(14)2)7-9-17-10-8-15/h3-4,13,17H,5-11H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane?
3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 253.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylbut-2-enylidene)-2-methyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 90831708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).